#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ca4 s SER 2 N 0.00 0.97 0.08 1.09 1.04 -1.26 -2.44 113.70 113.19 3ca4 s SER 2 Ca 0.00 -0.76 -0.12 0.00 0.48 0.00 0.00 55.95 55.55 3ca4 s SER 2 Cb 0.00 0.07 0.02 0.00 0.10 0.00 0.00 66.02 66.20 3ca4 s SER 2 CO 0.00 -0.33 0.29 0.72 0.98 0.00 0.00 173.24 174.90 3ca4 s PHE 3 N -2.42 -0.04 -0.02 5.02 -0.12 -1.00 -4.98 117.98 114.43 3ca4 s PHE 3 Ca -0.00 -0.26 0.05 0.00 -0.05 0.00 0.00 56.93 56.67 3ca4 s PHE 3 Cb -0.03 0.08 -0.01 0.00 -0.63 0.00 0.00 43.02 42.43 3ca4 s PHE 3 CO -0.02 -0.57 -0.16 0.99 -0.05 0.00 0.00 175.22 175.41 3ca4 s THR 4 N -3.38 1.29 0.20 -4.49 2.01 -1.26 -0.54 115.64 109.47 3ca4 s THR 4 Ca 0.01 -0.68 -0.10 0.00 0.31 0.00 0.00 61.69 61.23 3ca4 s THR 4 Cb 0.02 -1.08 -0.01 0.00 0.01 0.00 0.00 72.50 71.44 3ca4 s THR 4 CO -0.09 0.37 0.35 -0.13 -0.69 0.00 0.00 174.62 174.43 3ca4 s ARG 5 N -0.23 1.33 0.67 4.92 1.81 -0.18 -4.90 118.95 122.37 3ca4 s ARG 5 Ca 0.03 -1.26 -0.08 0.00 -1.72 0.00 0.00 55.73 52.70 3ca4 s ARG 5 Cb -0.08 0.41 0.03 0.00 -0.45 0.00 0.00 34.95 34.86 3ca4 s ARG 5 CO 0.00 -0.51 1.01 -0.80 -0.68 0.00 0.00 175.30 174.32 3ca4 s ASN 6 N -3.01 5.27 -0.20 0.23 -0.87 -0.30 -0.20 114.94 115.86 3ca4 s ASN 6 Ca 0.22 0.79 0.01 0.00 -1.57 0.00 0.00 52.86 52.30 3ca4 s ASN 6 Cb 0.02 -1.60 0.05 0.00 -0.02 0.00 0.00 41.25 39.70 3ca4 s ASN 6 CO 0.05 -1.34 -0.09 -0.63 -2.57 0.00 0.00 177.10 172.52 3ca4 s ILE 7 N -3.21 1.55 -0.11 0.60 1.01 -1.26 -1.56 121.20 118.22 3ca4 s ILE 7 Ca 0.57 -0.99 -0.10 0.00 0.00 0.00 0.00 60.65 60.13 3ca4 s ILE 7 Cb -0.11 -1.67 -0.05 0.00 0.01 0.00 0.00 42.46 40.64 3ca4 s ILE 7 CO 0.47 0.12 0.22 -0.69 0.00 0.00 0.00 174.94 175.06 3ca4 s VAL 8 N 1.43 5.37 0.00 2.92 1.01 0.19 -0.96 120.40 130.35 3ca4 s VAL 8 Ca -0.02 0.38 0.00 0.00 0.00 0.00 0.00 61.98 62.35 3ca4 s VAL 8 Cb -0.17 -3.50 0.00 0.00 0.00 0.00 0.00 36.38 32.71 3ca4 s VAL 8 CO -0.08 0.57 0.00 0.61 0.00 0.00 0.00 175.10 176.20 3ca4 n GLY 9 N 2.27 5.25 3.61 4.51 0.00 0.60 -0.12 105.19 121.30 3ca4 n GLY 9 Ca -0.17 -0.75 -0.54 0.00 0.00 0.00 0.00 46.02 44.56 3ca4 n GLY 9 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3ca4 n ARG 10 N 0.00 1.09 -1.36 1.61 0.63 -1.26 -0.18 116.66 117.19 3ca4 n ARG 10 Ca 0.00 0.39 -0.12 0.00 -0.92 0.00 0.00 57.85 57.20 3ca4 n ARG 10 Cb 0.00 -2.04 -0.05 0.00 0.45 0.00 0.00 32.46 30.82 3ca4 n ARG 10 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 3ca4 n ASP 11 N 3.03 -5.37 0.00 6.15 9.92 -1.26 -2.00 116.55 127.02 3ca4 n ASP 11 Ca 0.20 0.31 0.00 0.00 -0.53 0.00 0.00 54.79 54.77 3ca4 n ASP 11 Cb 0.17 -3.95 0.00 0.00 -0.64 0.00 0.00 41.12 36.70 3ca4 n ASP 11 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3ca4 n GLY 12 N -0.30 0.60 3.89 0.44 0.00 0.74 -5.03 105.19 105.53 3ca4 n GLY 12 Ca -0.12 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.60 3ca4 n GLY 12 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ca4 s LEU 13 N 0.00 3.18 0.16 0.99 1.43 -0.85 -4.57 118.68 119.02 3ca4 s LEU 13 Ca 0.00 1.16 0.07 0.00 -1.03 0.00 0.00 54.13 54.32 3ca4 s LEU 13 Cb 0.00 -4.08 -0.04 0.00 0.03 0.00 0.00 46.19 42.10 3ca4 s LEU 13 CO 0.00 -1.01 0.01 0.00 0.23 0.00 0.00 176.35 175.59 3ca4 s VAL 15 N -1.65 3.68 -0.06 0.00 1.01 -0.13 -1.50 120.40 121.76 3ca4 s VAL 15 Ca 0.27 1.07 -0.02 0.00 0.00 0.00 0.00 61.98 63.30 3ca4 s VAL 15 Cb -0.10 -3.69 0.04 0.00 0.00 0.00 0.00 36.38 32.63 3ca4 s VAL 15 CO 0.19 -0.00 0.12 -0.62 0.00 0.00 0.00 175.10 174.79 3ca4 s ASP 16 N 1.92 -0.04 -0.18 3.32 -1.08 0.26 -4.48 116.67 116.38 3ca4 s ASP 16 Ca 0.64 0.25 -0.29 0.00 -0.52 0.00 0.00 52.55 52.63 3ca4 s ASP 16 Cb -0.32 0.14 -0.01 0.00 -1.46 0.00 0.00 42.92 41.27 3ca4 s ASP 16 CO 0.27 -0.15 1.15 -0.69 0.52 0.00 0.00 175.17 176.27 3ca4 s VAL 17 N 1.19 4.48 -0.01 1.11 1.01 -0.08 -0.89 120.40 127.22 3ca4 s VAL 17 Ca -0.09 1.78 -0.35 0.00 0.00 0.00 0.00 61.98 63.33 3ca4 s VAL 17 Cb -0.12 -4.15 -0.13 0.00 0.00 0.00 0.00 36.38 31.98 3ca4 s VAL 17 CO -0.05 -0.13 1.74 -1.14 0.00 0.00 0.00 175.10 175.51 3ca4 n ARG 18 N 6.26 2.06 -1.28 2.72 0.63 -0.53 -1.08 116.66 125.43 3ca4 n ARG 18 Ca 0.13 0.75 -0.10 0.00 -0.92 0.00 0.00 57.85 57.71 3ca4 n ARG 18 Cb 0.46 -2.55 -0.04 0.00 0.45 0.00 0.00 32.46 30.78 3ca4 n ARG 18 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 3ca4 n ASN 19 N 5.24 -5.49 -0.03 6.15 3.02 -1.26 -2.74 115.26 120.16 3ca4 n ASN 19 Ca 0.21 0.24 -0.00 0.00 -0.03 0.00 0.00 54.58 54.99 3ca4 n ASN 19 Cb 0.28 -3.84 -0.00 0.00 -0.61 0.00 0.00 39.78 35.61 3ca4 n ASN 19 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3ca4 n GLY 20 N -0.04 0.29 3.75 7.41 0.00 -0.24 -4.99 105.19 111.37 3ca4 n GLY 20 Ca -0.10 -0.02 -0.41 0.00 0.00 0.00 0.00 46.02 45.50 3ca4 n GLY 20 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3ca4 s TYR 21 N -1.54 3.40 -1.59 1.61 2.02 -1.11 -4.93 117.35 115.21 3ca4 s TYR 21 Ca 0.00 1.52 0.18 0.00 -0.37 0.00 0.00 57.07 58.41 3ca4 s TYR 21 Cb 0.00 -3.43 0.53 0.00 -0.40 0.00 0.00 41.96 38.66 3ca4 s TYR 21 CO 0.00 -1.11 1.44 -0.40 -1.57 0.00 0.00 175.55 173.91 3ca4 n ASP 22 N 1.59 3.63 -4.76 2.29 5.75 -1.26 -4.72 116.55 119.07 3ca4 n ASP 22 Ca 0.01 -2.01 -0.41 0.00 -0.01 0.00 0.00 54.79 52.37 3ca4 n ASP 22 Cb 0.44 -0.40 -0.03 0.00 -1.03 0.00 0.00 41.12 40.09 3ca4 n ASP 22 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 3ca4 s THR 23 N -1.02 3.25 0.12 2.12 -4.23 -1.26 -4.91 115.64 109.70 3ca4 s THR 23 Ca 0.40 1.21 -0.35 0.00 -1.18 0.00 0.00 61.69 61.77 3ca4 s THR 23 Cb 0.21 -3.77 -0.17 0.00 1.34 0.00 0.00 72.50 70.12 3ca4 s THR 23 CO 0.27 0.27 1.18 0.47 -0.54 0.00 0.00 174.62 176.27 3ca4 n ASP 24 N 1.36 1.13 0.00 3.99 8.00 -1.26 -1.92 116.55 127.86 3ca4 n ASP 24 Ca 0.00 1.14 0.00 0.00 0.71 0.00 0.00 54.79 56.64 3ca4 n ASP 24 Cb 0.44 -1.15 0.00 0.00 -0.02 0.00 0.00 41.12 40.38 3ca4 n ASP 24 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3ca4 n GLY 25 N 2.12 0.54 3.71 0.44 0.00 0.71 -5.01 105.19 107.70 3ca4 n GLY 25 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 3ca4 n GLY 25 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ca4 s THR 26 N -2.23 3.02 0.68 2.61 2.01 -0.81 -4.70 115.64 116.22 3ca4 s THR 26 Ca 0.00 0.68 -0.15 0.00 0.31 0.00 0.00 61.69 62.52 3ca4 s THR 26 Cb 0.00 -3.43 0.01 0.00 0.01 0.00 0.00 72.50 69.09 3ca4 s THR 26 CO 0.00 0.04 1.16 -2.84 -0.69 0.00 0.00 174.62 172.29 3ca4 s PRO 27 N 1.48 2.54 0.23 4.92 0.02 -1.26 -0.60 135.00 142.32 3ca4 s PRO 27 Ca 0.68 1.59 -0.15 0.00 0.02 0.00 0.00 61.00 63.15 3ca4 s PRO 27 Cb -0.40 -1.90 -0.08 0.00 0.02 0.00 0.00 34.50 32.15 3ca4 s PRO 27 CO 0.31 -1.49 0.65 -0.51 -0.33 0.00 0.00 177.00 175.62 3ca4 s LEU 28 N -4.89 4.23 0.26 -5.54 1.43 -0.20 -1.45 118.68 112.51 3ca4 s LEU 28 Ca 0.71 1.19 -0.04 0.00 -1.03 0.00 0.00 54.13 54.96 3ca4 s LEU 28 Cb -0.25 -3.67 -0.02 0.00 0.03 0.00 0.00 46.19 42.28 3ca4 s LEU 28 CO 0.42 -0.04 0.32 0.00 0.23 0.00 0.00 176.35 177.28 3ca4 s GLN 29 N -2.43 1.52 0.18 1.70 -2.07 -0.07 -0.87 119.66 117.62 3ca4 s GLN 29 Ca 0.46 -1.60 -0.23 0.00 -1.82 0.00 0.00 55.36 52.17 3ca4 s GLN 29 Cb -0.13 0.37 -0.08 0.00 -1.09 0.00 0.00 33.01 32.08 3ca4 s GLN 29 CO 0.19 -0.58 0.75 -0.51 -1.32 0.00 0.00 175.29 173.82 3ca4 s LEU 30 N -3.16 4.50 -0.05 2.60 1.43 -0.31 -0.58 118.68 123.10 3ca4 s LEU 30 Ca 0.33 1.55 -0.23 0.00 -1.03 0.00 0.00 54.13 54.75 3ca4 s LEU 30 Cb 0.03 -3.39 0.05 0.00 0.03 0.00 0.00 46.19 42.91 3ca4 s LEU 30 CO 0.15 0.15 0.52 0.86 0.23 0.00 0.00 176.35 178.25 3ca4 s TRP 31 N -1.29 -0.46 0.28 0.29 -0.11 -0.56 -0.75 118.94 116.34 3ca4 s TRP 31 Ca 0.38 0.83 -0.29 0.00 1.22 0.00 0.00 56.10 58.24 3ca4 s TRP 31 Cb -0.21 0.26 -0.14 0.00 -1.50 0.00 0.00 33.47 31.89 3ca4 s TRP 31 CO 0.24 -0.49 1.10 -2.30 -4.62 0.00 0.00 176.95 170.88 3ca4 n PRO 32 N 1.26 1.50 -2.27 5.86 -0.02 -1.26 -0.58 135.00 139.49 3ca4 n PRO 32 Ca -0.19 0.53 -0.38 0.00 -2.02 0.00 0.00 63.50 61.44 3ca4 n PRO 32 Cb 0.56 -1.97 -0.02 0.00 -0.02 0.00 0.00 33.50 32.06 3ca4 n PRO 32 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ca4 n GLY 34 N 0.56 1.66 0.68 0.00 0.00 -1.26 -5.05 105.19 101.78 3ca4 n GLY 34 Ca 0.05 -1.07 0.13 0.00 0.00 0.00 0.00 46.02 45.13 3ca4 n GLY 34 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3ca4 n THR 35 N -0.15 0.00 -1.73 2.61 -2.24 -1.26 -4.86 114.28 106.66 3ca4 n THR 35 Ca -0.02 -0.36 -0.37 0.00 -2.27 0.00 0.00 64.05 61.03 3ca4 n THR 35 Cb 0.16 1.01 0.06 0.00 -2.10 0.00 0.00 70.33 69.46 3ca4 n THR 35 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3ca4 n GLN 36 N 0.63 1.23 0.26 -0.78 0.00 -1.26 -4.84 117.38 112.63 3ca4 n GLN 36 Ca 0.15 0.47 0.11 0.00 0.00 0.00 0.00 57.00 57.74 3ca4 n GLN 36 Cb 0.47 -2.53 0.71 0.00 0.00 0.00 0.00 30.24 28.90 3ca4 n GLN 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3ca4 h ARG 37 N 0.72 0.00 0.00 2.61 2.47 -1.94 -0.70 114.38 117.55 3ca4 h ARG 37 Ca -0.51 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.21 3ca4 h ARG 37 Cb 1.33 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.65 3ca4 h ARG 37 CO 0.54 0.08 0.00 0.27 0.56 0.00 0.00 179.97 181.41 3ca4 n ASN 38 N -4.06 0.00 -0.11 7.04 6.94 -1.26 -1.67 115.26 122.15 3ca4 n ASN 38 Ca -0.03 -1.46 0.01 0.00 -0.02 0.00 0.00 54.58 53.09 3ca4 n ASN 38 Cb 0.16 0.00 0.02 0.00 -2.36 0.00 0.00 39.78 37.60 3ca4 n ASN 38 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3ca4 n GLN 39 N -0.73 1.06 -3.66 -3.83 6.02 -0.27 -0.90 117.38 115.07 3ca4 n GLN 39 Ca 0.11 -1.10 -0.37 0.00 -0.01 0.00 0.00 57.00 55.62 3ca4 n GLN 39 Cb 0.05 -1.05 -0.12 0.00 1.02 0.00 0.00 30.24 30.14 3ca4 n GLN 39 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 3ca4 s ARG 40 N -0.57 3.83 -0.15 -1.09 1.81 -0.67 -4.29 118.95 117.83 3ca4 s ARG 40 Ca 0.04 -0.38 0.00 0.00 -1.72 0.00 0.00 55.73 53.67 3ca4 s ARG 40 Cb 0.02 -3.52 -0.00 0.00 -0.45 0.00 0.00 34.95 31.00 3ca4 s ARG 40 CO 0.03 -0.18 -0.15 -1.58 -0.68 0.00 0.00 175.30 172.74 3ca4 s TRP 41 N 1.68 2.77 -0.23 -0.53 0.52 0.72 -4.33 118.94 119.54 3ca4 s TRP 41 Ca 0.07 -0.98 -0.08 0.00 0.02 0.00 0.00 56.10 55.13 3ca4 s TRP 41 Cb -0.16 -1.87 -0.04 0.00 -1.15 0.00 0.00 33.47 30.25 3ca4 s TRP 41 CO 0.08 -0.43 0.10 0.99 0.02 0.00 0.00 176.95 177.71 3ca4 s THR 42 N 0.72 4.79 -0.34 2.01 2.01 0.85 -1.01 115.64 124.67 3ca4 s THR 42 Ca -0.07 -0.02 -0.16 0.00 0.31 0.00 0.00 61.69 61.76 3ca4 s THR 42 Cb -0.16 -3.22 -0.01 0.00 0.01 0.00 0.00 72.50 69.12 3ca4 s THR 42 CO 0.01 0.36 0.39 -0.36 -0.69 0.00 0.00 174.62 174.33 3ca4 s PHE 43 N 1.18 3.21 0.19 4.92 0.40 0.30 -0.54 117.98 127.64 3ca4 s PHE 43 Ca 0.05 0.03 0.04 0.00 -0.60 0.00 0.00 56.93 56.46 3ca4 s PHE 43 Cb -0.14 -2.70 -0.03 0.00 0.51 0.00 0.00 43.02 40.65 3ca4 s PHE 43 CO 0.04 -0.44 0.31 -0.51 0.70 0.00 0.00 175.22 175.32 3ca4 s ASP 44 N 1.73 6.27 0.57 1.36 1.01 -0.96 -2.37 116.67 124.27 3ca4 s ASP 44 Ca 0.13 0.10 0.27 0.00 0.71 0.00 0.00 52.55 53.76 3ca4 s ASP 44 Cb -0.16 -1.85 1.53 0.00 1.01 0.00 0.00 42.92 43.45 3ca4 s ASP 44 CO 0.12 -0.00 2.05 0.77 0.21 0.00 0.00 175.17 178.32 3ca4 h SER 45 N 1.73 0.00 0.00 0.27 4.64 -1.81 -1.80 113.55 116.58 3ca4 h SER 45 Ca -0.50 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.82 3ca4 h SER 45 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 3ca4 h SER 45 CO 0.65 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.71 3ca4 n ASP 46 N -4.01 0.05 -0.33 4.97 5.75 -1.26 -4.85 116.55 116.87 3ca4 n ASP 46 Ca 0.04 -1.80 -0.04 0.00 -0.01 0.00 0.00 54.79 52.98 3ca4 n ASP 46 Cb 0.43 -0.03 -0.02 0.00 -1.03 0.00 0.00 41.12 40.47 3ca4 n ASP 46 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 3ca4 n ASP 47 N -0.47 -4.03 -4.92 -1.12 9.92 -0.68 -4.90 116.55 110.37 3ca4 n ASP 47 Ca 0.00 0.11 -0.27 0.00 -0.53 0.00 0.00 54.79 54.10 3ca4 n ASP 47 Cb 0.01 -1.90 -0.02 0.00 -0.64 0.00 0.00 41.12 38.57 3ca4 n ASP 47 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 3ca4 s THR 48 N -1.99 5.01 -0.16 -3.53 -4.23 -1.26 -0.92 115.64 108.57 3ca4 s THR 48 Ca 0.00 -0.06 -0.01 0.00 -1.18 0.00 0.00 61.69 60.44 3ca4 s THR 48 Cb 0.00 -3.81 0.04 0.00 1.34 0.00 0.00 72.50 70.07 3ca4 s THR 48 CO 0.00 -0.54 -0.03 -0.63 -0.54 0.00 0.00 174.62 172.88 3ca4 s ILE 49 N -2.34 0.89 0.00 2.99 1.01 -1.26 -2.27 121.20 120.23 3ca4 s ILE 49 Ca 0.44 -0.50 0.07 0.00 0.00 0.00 0.00 60.65 60.66 3ca4 s ILE 49 Cb -0.10 -1.12 -0.03 0.00 0.01 0.00 0.00 42.46 41.22 3ca4 s ILE 49 CO 0.36 0.09 -0.22 -0.13 0.00 0.00 0.00 174.94 175.04 3ca4 s ARG 50 N 1.73 2.11 -0.01 2.79 0.52 0.30 -0.38 118.95 126.01 3ca4 s ARG 50 Ca 0.01 -0.94 0.02 0.00 -0.52 0.00 0.00 55.73 54.31 3ca4 s ARG 50 Cb -0.15 -2.13 -0.00 0.00 0.52 0.00 0.00 34.95 33.19 3ca4 s ARG 50 CO -0.07 0.56 -0.07 0.45 0.02 0.00 0.00 175.30 176.19 3ca4 s SER 51 N -0.96 0.82 -1.36 0.23 0.15 -0.14 -0.10 113.70 112.33 3ca4 s SER 51 Ca 0.12 -0.13 -0.02 0.00 0.70 0.00 0.00 55.95 56.62 3ca4 s SER 51 Cb -0.10 -0.11 0.01 0.00 -1.71 0.00 0.00 66.02 64.11 3ca4 s SER 51 CO 0.01 0.08 0.15 0.23 1.20 0.00 0.00 173.24 174.92 3ca4 n MET 52 N 2.95 -2.63 -0.89 5.44 2.81 -1.26 -1.12 117.12 122.43 3ca4 n MET 52 Ca -0.14 0.74 0.00 0.00 -1.81 0.00 0.00 57.70 56.50 3ca4 n MET 52 Cb 0.57 -5.42 0.00 0.00 -0.71 0.00 0.00 33.22 27.67 3ca4 n MET 52 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3ca4 n GLY 53 N -1.02 0.94 3.71 3.03 0.00 -1.26 -5.01 105.19 105.57 3ca4 n GLY 53 Ca -0.15 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.59 3ca4 n GLY 53 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ca4 s LYS 54 N -0.11 2.12 -0.05 1.61 1.02 -0.27 -4.68 119.74 119.37 3ca4 s LYS 54 Ca 0.00 -2.05 -0.01 0.00 0.02 0.00 0.00 55.97 53.93 3ca4 s LYS 54 Cb 0.00 -1.78 -0.04 0.00 -0.52 0.00 0.00 37.83 35.49 3ca4 s LYS 54 CO 0.00 -0.16 0.04 0.00 -0.92 0.00 0.00 175.35 174.31 3ca4 s MET 56 N -1.27 4.14 -0.02 0.00 1.75 0.49 -1.04 119.30 123.35 3ca4 s MET 56 Ca 0.17 2.57 -0.00 0.00 -1.25 0.00 0.00 55.69 57.18 3ca4 s MET 56 Cb -0.12 -3.45 0.03 0.00 2.84 0.00 0.00 34.83 34.13 3ca4 s MET 56 CO 0.07 -0.80 0.03 0.99 -0.65 0.00 0.00 175.02 174.66 3ca4 s THR 57 N 2.30 -0.04 -0.08 10.11 2.01 0.32 -4.45 115.64 125.80 3ca4 s THR 57 Ca 0.79 0.22 -0.30 0.00 0.31 0.00 0.00 61.69 62.71 3ca4 s THR 57 Cb -0.46 -0.10 -0.02 0.00 0.01 0.00 0.00 72.50 71.92 3ca4 s THR 57 CO 0.35 0.10 1.16 0.00 -0.69 0.00 0.00 174.62 175.53 3ca4 s ALA 58 N 1.12 3.50 -1.26 7.40 0.00 -0.02 -0.40 121.76 132.10 3ca4 s ALA 58 Ca -0.08 0.53 -0.11 0.00 0.00 0.00 0.00 51.96 52.30 3ca4 s ALA 58 Cb -0.13 -3.51 0.17 0.00 0.00 0.00 0.00 23.12 19.65 3ca4 s ALA 58 CO -0.03 -0.78 1.75 -1.71 0.00 0.00 0.00 175.76 174.99 3ca4 n ASN 59 N 5.33 5.12 0.00 0.00 5.15 0.88 -4.73 115.26 127.01 3ca4 n ASN 59 Ca 0.11 -3.07 0.00 0.00 -0.60 0.00 0.00 54.58 51.02 3ca4 n ASN 59 Cb 0.47 -1.51 0.00 0.00 -0.53 0.00 0.00 39.78 38.21 3ca4 n ASN 59 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3ca4 n GLY 60 N 3.19 2.51 2.10 8.20 0.00 -1.26 -4.20 105.19 115.74 3ca4 n GLY 60 Ca 0.39 -1.88 -0.22 0.00 0.00 0.00 0.00 46.02 44.31 3ca4 n GLY 60 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3ca4 n LEU 61 N 0.00 4.65 -4.67 0.99 4.77 -1.26 -4.82 117.00 116.67 3ca4 n LEU 61 Ca 0.00 -4.63 -0.24 0.00 -0.03 0.00 0.00 56.01 51.12 3ca4 n LEU 61 Cb 0.00 -0.28 -0.07 0.00 -2.33 0.00 0.00 43.42 40.74 3ca4 n LEU 61 CO 0.00 2.03 -0.28 0.20 -1.33 0.00 0.00 177.39 178.01 3ca4 s ASN 62 N -3.61 4.44 -0.15 -1.43 0.02 -1.26 -4.87 114.94 108.07 3ca4 s ASN 62 Ca 0.49 -0.83 -0.29 0.00 -1.02 0.00 0.00 52.86 51.21 3ca4 s ASN 62 Cb 0.40 -0.68 -0.05 0.00 0.02 0.00 0.00 41.25 40.95 3ca4 s ASN 62 CO 0.03 -0.19 1.93 0.21 0.02 0.00 0.00 177.10 179.10 3ca4 s ASN 63 N -3.75 6.06 0.00 -1.22 2.47 -1.26 -1.03 114.94 116.21 3ca4 s ASN 63 Ca 0.35 2.00 0.00 0.00 0.42 0.00 0.00 52.86 55.63 3ca4 s ASN 63 Cb -0.03 -2.52 0.00 0.00 -1.45 0.00 0.00 41.25 37.25 3ca4 s ASN 63 CO 0.21 -1.46 0.00 0.61 -3.72 0.00 0.00 177.10 172.73 3ca4 n GLY 64 N 5.04 0.49 3.77 1.21 0.00 0.74 -5.01 105.19 111.42 3ca4 n GLY 64 Ca 0.23 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.84 3ca4 n GLY 64 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3ca4 s SER 65 N -2.11 6.33 0.46 1.61 0.01 -0.20 -4.73 113.70 115.08 3ca4 s SER 65 Ca 0.00 3.04 -0.21 0.00 1.31 0.00 0.00 55.95 60.08 3ca4 s SER 65 Cb 0.00 -2.66 -0.09 0.00 0.21 0.00 0.00 66.02 63.49 3ca4 s SER 65 CO 0.00 -0.91 1.05 0.20 0.41 0.00 0.00 173.24 173.99 3ca4 s ASN 66 N 0.10 6.45 -0.13 2.44 0.01 -1.26 -0.52 114.94 122.03 3ca4 s ASN 66 Ca 0.57 1.97 -0.04 0.00 -0.71 0.00 0.00 52.86 54.65 3ca4 s ASN 66 Cb -0.47 -2.57 -0.03 0.00 0.41 0.00 0.00 41.25 38.58 3ca4 s ASN 66 CO 0.58 -0.71 0.01 -0.63 -1.51 0.00 0.00 177.10 174.84 3ca4 s ILE 67 N -1.88 4.35 0.28 0.60 1.01 -0.70 -0.09 121.20 124.77 3ca4 s ILE 67 Ca 0.65 -0.21 0.03 0.00 0.00 0.00 0.00 60.65 61.11 3ca4 s ILE 67 Cb -0.18 -2.89 -0.04 0.00 0.01 0.00 0.00 42.46 39.36 3ca4 s ILE 67 CO 0.22 0.54 0.16 0.68 0.00 0.00 0.00 174.94 176.54 3ca4 s VAL 68 N -0.20 0.24 0.12 2.92 -7.23 0.46 -1.04 120.40 115.67 3ca4 s VAL 68 Ca 0.05 -2.00 -0.11 0.00 -1.81 0.00 0.00 61.98 58.12 3ca4 s VAL 68 Cb -0.12 -2.52 -0.06 0.00 0.56 0.00 0.00 36.38 34.23 3ca4 s VAL 68 CO 0.02 0.00 0.46 -0.51 -0.31 0.00 0.00 175.10 174.76 3ca4 s ILE 69 N -3.72 5.00 -0.19 -0.62 1.10 0.23 -0.53 121.20 122.47 3ca4 s ILE 69 Ca 0.37 0.54 -0.27 0.00 -0.51 0.00 0.00 60.65 60.79 3ca4 s ILE 69 Cb 0.05 -3.67 0.07 0.00 0.15 0.00 0.00 42.46 39.06 3ca4 s ILE 69 CO 0.17 0.21 0.69 0.12 -2.11 0.00 0.00 174.94 174.03 3ca4 s PHE 70 N -1.49 -0.73 -0.11 3.50 5.36 -0.20 -0.21 117.98 124.10 3ca4 s PHE 70 Ca 0.37 1.62 -0.40 0.00 -0.96 0.00 0.00 56.93 57.55 3ca4 s PHE 70 Cb -0.14 0.31 -0.18 0.00 -0.34 0.00 0.00 43.02 42.67 3ca4 s PHE 70 CO 0.19 -0.45 1.40 -1.71 -1.46 0.00 0.00 175.22 173.19 3ca4 n ASN 71 N 2.08 1.32 0.20 6.13 2.85 -1.26 -0.63 115.26 125.95 3ca4 n ASN 71 Ca -0.16 1.13 0.04 0.00 -0.11 0.00 0.00 54.58 55.48 3ca4 n ASN 71 Cb 0.56 -1.06 0.40 0.00 1.24 0.00 0.00 39.78 40.92 3ca4 n ASN 71 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3ca4 h SER 73 N 0.00 0.55 0.77 0.00 0.02 -1.96 -3.37 113.55 109.56 3ca4 h SER 73 Ca -0.00 -0.56 0.00 0.00 -0.84 0.00 0.00 61.79 60.39 3ca4 h SER 73 Cb 0.61 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 62.97 3ca4 h SER 73 CO 0.04 1.42 -1.08 0.35 -1.14 0.00 0.00 176.83 176.43 3ca4 n THR 74 N -3.61 0.45 -1.53 -2.27 -2.24 -1.18 -4.90 114.28 99.00 3ca4 n THR 74 Ca -0.10 -0.46 -0.34 0.00 -2.27 0.00 0.00 64.05 60.88 3ca4 n THR 74 Cb 1.02 -0.19 0.08 0.00 -2.10 0.00 0.00 70.33 69.14 3ca4 n THR 74 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3ca4 s ALA 75 N -3.33 2.21 0.21 6.98 0.00 -0.76 -4.96 121.76 122.11 3ca4 s ALA 75 Ca 0.00 0.80 -0.32 0.00 0.00 0.00 0.00 51.96 52.44 3ca4 s ALA 75 Cb 0.11 -3.43 -0.12 0.00 0.00 0.00 0.00 23.12 19.68 3ca4 s ALA 75 CO 0.80 -1.71 1.71 0.00 0.00 0.00 0.00 175.76 176.56 3ca4 s ALA 76 N -2.06 3.93 0.29 0.00 0.00 -1.26 -4.89 121.76 117.76 3ca4 s ALA 76 Ca 0.73 1.58 0.01 0.00 0.00 0.00 0.00 51.96 54.28 3ca4 s ALA 76 Cb -0.27 -3.69 0.55 0.00 0.00 0.00 0.00 23.12 19.71 3ca4 s ALA 76 CO 0.44 -0.92 1.85 1.49 0.00 0.00 0.00 175.76 178.62 3ca4 h GLU 77 N 6.68 0.97 0.00 0.00 4.57 -1.93 -0.50 114.58 124.38 3ca4 h GLU 77 Ca -0.43 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 57.69 3ca4 h GLU 77 Cb 1.20 -0.22 0.00 0.00 -0.16 0.00 0.00 28.75 29.57 3ca4 h GLU 77 CO 0.95 0.64 0.00 0.27 -1.18 0.00 0.00 179.01 179.69 3ca4 n ASN 78 N -4.59 0.61 -0.03 1.04 2.04 -1.26 -2.30 115.26 110.78 3ca4 n ASN 78 Ca 0.18 0.68 0.11 0.00 -0.44 0.00 0.00 54.58 55.10 3ca4 n ASN 78 Cb 0.33 -0.80 0.04 0.00 -2.53 0.00 0.00 39.78 36.82 3ca4 n ASN 78 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 3ca4 n ALA 79 N -1.76 4.21 0.01 -2.53 0.00 -0.20 -4.32 120.51 115.92 3ca4 n ALA 79 Ca 0.01 -0.50 0.05 0.00 0.00 0.00 0.00 53.44 53.00 3ca4 n ALA 79 Cb 0.19 -0.92 0.10 0.00 0.00 0.00 0.00 19.45 18.82 3ca4 n ALA 79 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 3ca4 n ILE 80 N -1.42 0.71 -3.73 0.00 -5.35 -0.97 -0.84 119.36 107.76 3ca4 n ILE 80 Ca 0.05 -0.86 -0.37 0.00 -0.27 0.00 0.00 62.75 61.30 3ca4 n ILE 80 Cb 0.34 0.70 -0.06 0.00 -1.74 0.00 0.00 39.64 38.88 3ca4 n ILE 80 CO 0.00 0.00 0.00 -0.54 -1.76 0.00 0.00 176.55 174.25 3ca4 s LYS 81 N -0.94 3.71 -0.02 6.28 -0.14 -1.23 -4.16 119.74 123.24 3ca4 s LYS 81 Ca 0.17 0.03 -0.06 0.00 -1.36 0.00 0.00 55.97 54.75 3ca4 s LYS 81 Cb 0.10 -3.24 0.00 0.00 -1.68 0.00 0.00 37.83 33.01 3ca4 s LYS 81 CO 0.13 0.66 0.12 -1.58 -0.76 0.00 0.00 175.35 173.92 3ca4 s TRP 82 N -0.77 -0.02 0.23 3.18 0.52 -0.09 -4.09 118.94 117.89 3ca4 s TRP 82 Ca 0.17 0.05 0.09 0.00 0.02 0.00 0.00 56.10 56.43 3ca4 s TRP 82 Cb -0.13 -0.02 -0.05 0.00 -1.15 0.00 0.00 33.47 32.12 3ca4 s TRP 82 CO 0.06 -0.19 -0.15 -1.21 0.02 0.00 0.00 176.95 175.48 3ca4 s GLU 83 N -0.76 1.44 -0.61 4.98 2.02 -0.14 -4.71 118.70 120.92 3ca4 s GLU 83 Ca -0.08 -1.65 0.04 0.00 0.02 0.00 0.00 54.97 53.30 3ca4 s GLU 83 Cb -0.05 -1.29 0.16 0.00 0.10 0.00 0.00 34.13 33.05 3ca4 s GLU 83 CO 0.01 0.21 0.40 0.08 0.02 0.00 0.00 175.26 175.98 3ca4 s VAL 84 N -2.86 2.43 0.73 2.63 1.01 -1.26 -1.31 120.40 121.77 3ca4 s VAL 84 Ca 0.25 -3.73 -0.16 0.00 0.00 0.00 0.00 61.98 58.34 3ca4 s VAL 84 Cb -0.01 -2.63 -0.02 0.00 0.00 0.00 0.00 36.38 33.72 3ca4 s VAL 84 CO 0.09 -0.97 0.70 -2.65 0.00 0.00 0.00 175.10 172.27 3ca4 n PRO 85 N 2.48 0.35 0.30 2.72 -0.02 -1.21 -4.86 135.00 134.76 3ca4 n PRO 85 Ca 0.16 0.17 0.18 0.00 -2.02 0.00 0.00 63.50 61.99 3ca4 n PRO 85 Cb 0.35 -1.98 0.94 0.00 -0.02 0.00 0.00 33.50 32.80 3ca4 n PRO 85 CO 0.00 0.00 0.00 -0.84 1.98 0.00 0.00 175.50 176.64 3ca4 h ILE 86 N -0.37 0.17 -0.03 4.25 3.07 -1.99 0.60 117.51 123.21 3ca4 h ILE 86 Ca -0.46 -0.27 0.00 0.00 1.55 0.00 0.00 64.86 65.68 3ca4 h ILE 86 Cb 1.34 1.22 0.00 0.00 -0.27 0.00 0.00 36.82 39.11 3ca4 h ILE 86 CO 0.44 0.03 0.00 -0.90 -1.05 0.00 0.00 178.15 176.67 3ca4 n ASP 87 N -3.27 0.64 0.00 2.16 5.68 -1.26 -4.89 116.55 115.61 3ca4 n ASP 87 Ca -0.02 -1.34 0.00 0.00 -0.50 0.00 0.00 54.79 52.93 3ca4 n ASP 87 Cb 0.17 -0.02 0.00 0.00 -1.14 0.00 0.00 41.12 40.14 3ca4 n ASP 87 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3ca4 n GLY 88 N 1.01 0.81 3.75 6.12 0.00 0.20 -4.85 105.19 112.23 3ca4 n GLY 88 Ca 0.19 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.92 3ca4 n GLY 88 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3ca4 s SER 89 N -2.35 3.49 -0.16 1.61 0.01 -1.25 -0.37 113.70 114.68 3ca4 s SER 89 Ca 0.00 1.20 -0.01 0.00 1.31 0.00 0.00 55.95 58.45 3ca4 s SER 89 Cb 0.00 -1.85 0.04 0.00 0.21 0.00 0.00 66.02 64.42 3ca4 s SER 89 CO 0.00 -2.59 -0.04 -0.63 0.41 0.00 0.00 173.24 170.39 3ca4 s ILE 90 N -3.11 0.94 0.04 1.44 1.01 -1.26 -3.36 121.20 116.90 3ca4 s ILE 90 Ca 0.63 -0.51 0.08 0.00 0.00 0.00 0.00 60.65 60.86 3ca4 s ILE 90 Cb -0.16 -1.15 -0.03 0.00 0.01 0.00 0.00 42.46 41.13 3ca4 s ILE 90 CO 0.55 0.11 -0.23 -0.51 0.00 0.00 0.00 174.94 174.86 3ca4 s ILE 91 N 1.71 2.36 -0.36 2.92 2.07 -0.42 -0.76 121.20 128.72 3ca4 s ILE 91 Ca 0.01 -1.29 -0.17 0.00 -1.41 0.00 0.00 60.65 57.80 3ca4 s ILE 91 Cb -0.15 -1.94 -0.00 0.00 0.13 0.00 0.00 42.46 40.50 3ca4 s ILE 91 CO -0.07 0.38 0.44 0.21 -1.91 0.00 0.00 174.94 173.99 3ca4 s ASN 92 N -1.24 6.24 0.39 4.50 3.84 -0.43 -0.96 114.94 127.28 3ca4 s ASN 92 Ca 0.12 -0.19 0.06 0.00 0.21 0.00 0.00 52.86 53.06 3ca4 s ASN 92 Cb -0.10 -2.23 0.79 0.00 -0.55 0.00 0.00 41.25 39.16 3ca4 s ASN 92 CO 0.03 -0.44 2.02 -0.65 -2.79 0.00 0.00 177.10 175.27 3ca4 h PRO 93 N 8.50 0.55 -0.26 0.43 0.11 -1.88 -0.03 132.00 139.43 3ca4 h PRO 93 Ca -0.28 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 65.77 3ca4 h PRO 93 Cb 1.13 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.11 3ca4 h PRO 93 CO 0.74 0.41 0.14 1.03 -0.21 0.00 0.00 178.00 180.11 3ca4 h SER 94 N 0.56 0.33 0.73 -2.05 0.87 -1.89 -3.13 113.55 108.96 3ca4 h SER 94 Ca 0.15 -0.10 -0.07 0.00 -1.23 0.00 0.00 61.79 60.54 3ca4 h SER 94 Cb 0.01 -0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 61.88 3ca4 h SER 94 CO -0.02 0.33 -1.32 -1.54 -0.53 0.00 0.00 176.83 173.74 3ca4 n SER 95 N -4.84 0.71 0.00 6.23 3.41 -1.15 -4.95 113.62 113.03 3ca4 n SER 95 Ca -0.02 0.29 0.00 0.00 -0.26 0.00 0.00 58.87 58.87 3ca4 n SER 95 Cb 0.08 0.59 0.00 0.00 -0.26 0.00 0.00 64.21 64.62 3ca4 n SER 95 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3ca4 n GLY 96 N 1.28 0.19 3.90 5.00 0.00 -0.04 -5.02 105.19 110.51 3ca4 n GLY 96 Ca -0.05 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.69 3ca4 n GLY 96 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ca4 s LEU 97 N 0.00 3.61 0.14 0.99 1.43 -1.24 -4.59 118.68 119.02 3ca4 s LEU 97 Ca 0.00 1.01 0.10 0.00 -1.03 0.00 0.00 54.13 54.21 3ca4 s LEU 97 Cb 0.00 -3.97 -0.04 0.00 0.03 0.00 0.00 46.19 42.21 3ca4 s LEU 97 CO 0.00 -0.58 -0.22 0.68 0.23 0.00 0.00 176.35 176.45 3ca4 s VAL 98 N -2.74 1.99 0.18 -1.59 -7.23 -0.48 -1.31 120.40 109.22 3ca4 s VAL 98 Ca 0.49 -1.80 -0.32 0.00 -1.81 0.00 0.00 61.98 58.55 3ca4 s VAL 98 Cb -0.10 -1.85 -0.11 0.00 0.56 0.00 0.00 36.38 34.87 3ca4 s VAL 98 CO 0.44 -0.11 1.74 -0.32 -0.31 0.00 0.00 175.10 176.54 3ca4 s MET 99 N -2.34 4.13 -0.01 4.82 1.75 0.06 -1.38 119.30 126.33 3ca4 s MET 99 Ca 0.14 2.58 0.01 0.00 -1.25 0.00 0.00 55.69 57.17 3ca4 s MET 99 Cb -0.08 -3.23 0.00 0.00 2.84 0.00 0.00 34.83 34.36 3ca4 s MET 99 CO 0.06 -0.77 -0.03 0.99 -0.65 0.00 0.00 175.02 174.62 3ca4 s THR 100 N 1.61 0.31 -0.50 10.11 2.01 0.54 -4.45 115.64 125.27 3ca4 s THR 100 Ca 0.76 -0.13 -0.14 0.00 0.31 0.00 0.00 61.69 62.49 3ca4 s THR 100 Cb -0.48 -0.29 0.11 0.00 0.01 0.00 0.00 72.50 71.84 3ca4 s THR 100 CO 0.33 0.11 0.42 0.00 -0.69 0.00 0.00 174.62 174.79 3ca4 s ALA 101 N 0.15 3.55 -0.34 7.40 0.00 -0.05 -1.29 121.76 131.18 3ca4 s ALA 101 Ca -0.01 -2.37 0.27 0.00 0.00 0.00 0.00 51.96 49.85 3ca4 s ALA 101 Cb -0.04 -3.08 0.98 0.00 0.00 0.00 0.00 23.12 20.98 3ca4 s ALA 101 CO -0.00 -1.87 1.80 -1.00 0.00 0.00 0.00 175.76 174.68 3ca4 h PRO 102 N 8.73 0.00 -5.10 0.00 0.13 -1.86 -3.44 132.00 130.46 3ca4 h PRO 102 Ca -0.27 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 64.52 3ca4 h PRO 102 Cb 1.10 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.08 3ca4 h PRO 102 CO 0.93 0.00 -0.72 1.03 -0.23 0.00 0.00 178.00 179.02 3ca4 s ARG 103 N -3.37 1.06 0.40 0.86 0.52 -1.26 -5.07 118.95 112.09 3ca4 s ARG 103 Ca 0.05 -1.44 0.24 0.00 -0.52 0.00 0.00 55.73 54.06 3ca4 s ARG 103 Cb 0.09 -0.65 0.51 0.00 0.52 0.00 0.00 34.95 35.42 3ca4 s ARG 103 CO 0.52 0.08 1.67 0.00 0.02 0.00 0.00 175.30 177.59 3ca4 h ALA 104 N 2.82 1.00 -2.64 2.13 0.00 -1.96 -3.46 119.26 117.14 3ca4 h ALA 104 Ca -0.37 0.00 -0.52 0.00 0.00 0.00 0.00 54.91 54.03 3ca4 h ALA 104 Cb 1.19 0.00 0.11 0.00 0.00 0.00 0.00 17.79 19.09 3ca4 h ALA 104 CO 0.63 0.00 0.42 0.00 0.00 0.00 0.00 179.25 180.30 3ca4 s ALA 105 N -3.22 2.47 0.50 0.00 0.00 -1.26 -4.87 121.76 115.38 3ca4 s ALA 105 Ca 0.07 0.81 -0.21 0.00 0.00 0.00 0.00 51.96 52.63 3ca4 s ALA 105 Cb 0.07 -3.40 -0.09 0.00 0.00 0.00 0.00 23.12 19.70 3ca4 s ALA 105 CO 0.64 -1.25 0.78 0.43 0.00 0.00 0.00 175.76 176.36 3ca4 n SER 106 N -2.00 0.13 0.00 0.00 7.64 -1.26 -2.20 113.62 115.94 3ca4 n SER 106 Ca 0.12 0.88 0.00 0.00 1.01 0.00 0.00 58.87 60.88 3ca4 n SER 106 Cb 0.51 -1.27 0.00 0.00 -1.01 0.00 0.00 64.21 62.44 3ca4 n SER 106 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3ca4 n ARG 107 N -0.06 -0.19 -1.90 1.43 1.74 0.07 -4.98 116.66 112.76 3ca4 n ARG 107 Ca 0.11 0.05 -0.42 0.00 -0.77 0.00 0.00 57.85 56.82 3ca4 n ARG 107 Cb 0.43 -3.24 -0.03 0.00 -1.02 0.00 0.00 32.46 28.61 3ca4 n ARG 107 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 3ca4 s THR 108 N -2.66 2.48 -0.00 0.55 2.01 -0.93 -4.79 115.64 112.29 3ca4 s THR 108 Ca 0.00 0.36 -0.19 0.00 0.31 0.00 0.00 61.69 62.17 3ca4 s THR 108 Cb 0.00 -3.23 -0.06 0.00 0.01 0.00 0.00 72.50 69.22 3ca4 s THR 108 CO 0.00 0.04 0.54 -0.63 -0.69 0.00 0.00 174.62 173.88 3ca4 s ILE 109 N 0.71 4.93 0.22 1.82 1.01 -1.26 -1.16 121.20 127.46 3ca4 s ILE 109 Ca 0.67 1.13 -0.24 0.00 0.00 0.00 0.00 60.65 62.21 3ca4 s ILE 109 Cb -0.45 -3.87 -0.08 0.00 0.01 0.00 0.00 42.46 38.07 3ca4 s ILE 109 CO 0.37 0.46 0.81 -0.76 0.00 0.00 0.00 174.94 175.81 3ca4 s LEU 110 N -0.42 4.49 0.14 2.97 1.43 -0.05 -4.47 118.68 122.76 3ca4 s LEU 110 Ca 0.29 1.65 0.06 0.00 -1.03 0.00 0.00 54.13 55.09 3ca4 s LEU 110 Cb -0.18 -3.53 -0.04 0.00 0.03 0.00 0.00 46.19 42.47 3ca4 s LEU 110 CO 0.16 0.11 -0.13 -0.76 0.23 0.00 0.00 176.35 175.96 3ca4 s LEU 111 N -1.54 2.46 -0.07 1.79 1.43 -0.41 -1.72 118.68 120.62 3ca4 s LEU 111 Ca 0.41 -0.89 -0.25 0.00 -1.03 0.00 0.00 54.13 52.37 3ca4 s LEU 111 Cb -0.21 -0.51 -0.03 0.00 0.03 0.00 0.00 46.19 45.47 3ca4 s LEU 111 CO 0.25 -0.20 0.78 -0.76 0.23 0.00 0.00 176.35 176.66 3ca4 s LEU 112 N -2.75 4.30 0.11 1.79 1.43 0.33 -0.34 118.68 123.55 3ca4 s LEU 112 Ca 0.13 1.28 -0.04 0.00 -1.03 0.00 0.00 54.13 54.47 3ca4 s LEU 112 Cb -0.02 -3.21 -0.03 0.00 0.03 0.00 0.00 46.19 42.96 3ca4 s LEU 112 CO 0.03 -0.20 0.10 -1.61 0.23 0.00 0.00 176.35 174.90 3ca4 s GLU 113 N 1.09 0.88 0.18 1.70 2.02 -0.48 -0.19 118.70 123.90 3ca4 s GLU 113 Ca 0.41 -1.27 -0.33 0.00 0.02 0.00 0.00 54.97 53.80 3ca4 s GLU 113 Cb -0.18 0.28 -0.15 0.00 0.10 0.00 0.00 34.13 34.17 3ca4 s GLU 113 CO 0.19 -0.26 1.26 -0.25 0.02 0.00 0.00 175.26 176.23 3ca4 n ASP 114 N -0.06 1.81 -4.66 -0.19 8.00 -1.26 -1.39 116.55 118.80 3ca4 n ASP 114 Ca -0.09 1.14 -0.43 0.00 0.71 0.00 0.00 54.79 56.12 3ca4 n ASP 114 Cb 0.63 -1.28 -0.03 0.00 -0.02 0.00 0.00 41.12 40.42 3ca4 n ASP 114 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 3ca4 s ASN 115 N 0.16 6.74 -0.04 -2.24 2.47 -1.26 -4.83 114.94 115.94 3ca4 s ASN 115 Ca 0.73 2.02 0.06 0.00 0.42 0.00 0.00 52.86 56.09 3ca4 s ASN 115 Cb -0.80 -2.53 0.09 0.00 -1.45 0.00 0.00 41.25 36.55 3ca4 s ASN 115 CO 0.50 -0.89 1.04 2.30 -3.72 0.00 0.00 177.10 176.33 3ca4 n ILE 116 N 5.50 1.25 -3.57 -5.21 -5.35 -1.26 -5.00 119.36 105.72 3ca4 n ILE 116 Ca 0.16 -1.37 -0.26 0.00 -0.27 0.00 0.00 62.75 61.01 3ca4 n ILE 116 Cb 0.44 0.28 0.04 0.00 -1.74 0.00 0.00 39.64 38.66 3ca4 n ILE 116 CO 0.00 0.00 0.00 -1.22 -1.76 0.00 0.00 176.55 173.57 3ca4 n TYR 117 N -0.78 -2.36 -2.36 4.28 4.02 -1.26 -4.69 117.16 114.01 3ca4 n TYR 117 Ca 0.05 0.81 -0.32 0.00 -0.01 0.00 0.00 57.90 58.43 3ca4 n TYR 117 Cb 0.37 -4.29 -0.03 0.00 -0.02 0.00 0.00 39.34 35.38 3ca4 n TYR 117 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3ca4 s ALA 118 N -3.24 3.09 0.48 -0.72 0.00 -1.26 -4.26 121.76 115.86 3ca4 s ALA 118 Ca 0.54 0.12 0.28 0.00 0.00 0.00 0.00 51.96 52.89 3ca4 s ALA 118 Cb -0.26 -3.08 1.57 0.00 0.00 0.00 0.00 23.12 21.35 3ca4 s ALA 118 CO 0.66 -0.28 2.14 0.00 0.00 0.00 0.00 175.76 178.28 3ca4 h ALA 119 N 0.78 1.38 0.00 0.00 0.00 -1.05 0.58 119.26 120.95 3ca4 h ALA 119 Ca -0.46 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.37 3ca4 h ALA 119 Cb 1.19 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.96 3ca4 h ALA 119 CO 0.62 0.10 0.00 -1.13 0.00 0.00 0.00 179.25 178.83 3ca4 n SER 120 N -3.73 0.00 -0.34 0.00 3.41 -0.89 -2.12 113.62 109.94 3ca4 n SER 120 Ca -0.02 0.02 0.05 0.00 -0.26 0.00 0.00 58.87 58.66 3ca4 n SER 120 Cb 0.18 -0.24 0.11 0.00 -0.26 0.00 0.00 64.21 64.00 3ca4 n SER 120 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3ca4 n GLN 121 N -1.24 2.64 -3.74 4.33 6.02 0.19 -0.88 117.38 124.70 3ca4 n GLN 121 Ca 0.07 -2.07 -0.37 0.00 -0.01 0.00 0.00 57.00 54.62 3ca4 n GLN 121 Cb 0.10 -1.30 -0.06 0.00 1.02 0.00 0.00 30.24 29.99 3ca4 n GLN 121 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 3ca4 s GLY 122 N -1.48 2.25 0.05 1.08 0.00 -0.90 -4.23 107.32 104.09 3ca4 s GLY 122 Ca 0.19 -0.51 -0.05 0.00 0.00 0.00 0.00 44.72 44.35 3ca4 s GLY 122 CO 0.07 -0.15 0.08 -0.98 0.00 0.00 0.00 173.10 172.11 3ca4 s TRP 123 N -0.89 0.27 -0.06 1.90 0.52 0.50 -4.11 118.94 117.06 3ca4 s TRP 123 Ca 0.17 -0.64 -0.00 0.00 0.02 0.00 0.00 56.10 55.65 3ca4 s TRP 123 Cb -0.13 -0.18 0.02 0.00 -1.15 0.00 0.00 33.47 32.03 3ca4 s TRP 123 CO 0.06 -0.39 -0.03 0.99 0.02 0.00 0.00 176.95 177.61 3ca4 s THR 124 N -3.08 0.51 -0.38 2.01 2.01 0.82 -4.64 115.64 112.89 3ca4 s THR 124 Ca -0.01 -0.02 -0.22 0.00 0.31 0.00 0.00 61.69 61.75 3ca4 s THR 124 Cb 0.02 -0.59 0.01 0.00 0.01 0.00 0.00 72.50 71.94 3ca4 s THR 124 CO -0.07 0.25 0.70 -0.69 -0.69 0.00 0.00 174.62 174.12 3ca4 s VAL 125 N 1.47 4.81 0.06 3.82 1.01 -1.26 -0.64 120.40 129.66 3ca4 s VAL 125 Ca -0.02 0.56 -0.26 0.00 0.00 0.00 0.00 61.98 62.26 3ca4 s VAL 125 Cb -0.13 -4.17 0.08 0.00 0.00 0.00 0.00 36.38 32.16 3ca4 s VAL 125 CO -0.03 -0.45 0.69 0.28 0.00 0.00 0.00 175.10 175.59 3ca4 s THR 126 N 2.91 0.00 -0.58 3.92 -1.32 -0.60 -4.98 115.64 114.98 3ca4 s THR 126 Ca 0.27 0.00 0.24 0.00 -1.21 0.00 0.00 61.69 60.99 3ca4 s THR 126 Cb -0.14 -1.00 0.06 0.00 -1.51 0.00 0.00 72.50 69.91 3ca4 s THR 126 CO 0.17 0.00 1.30 0.78 -2.21 0.00 0.00 174.62 174.66 3ca4 h ASN 127 N 2.30 0.00 -3.46 8.08 2.35 -1.90 -0.79 115.58 122.16 3ca4 h ASN 127 Ca -0.29 -0.17 -0.65 0.00 -0.55 0.00 0.00 56.30 54.64 3ca4 h ASN 127 Cb 1.25 0.00 -0.15 0.00 0.05 0.00 0.00 38.32 39.47 3ca4 h ASN 127 CO 0.37 0.09 0.23 0.21 -1.65 0.00 0.00 177.43 176.67 3ca4 s ASN 128 N -4.46 6.32 0.00 5.81 3.84 -1.26 -4.89 114.94 120.29 3ca4 s ASN 128 Ca 0.05 -0.43 0.13 0.00 0.21 0.00 0.00 52.86 52.82 3ca4 s ASN 128 Cb 0.12 -2.34 0.42 0.00 -0.55 0.00 0.00 41.25 38.90 3ca4 s ASN 128 CO 0.73 -0.91 1.33 1.33 -2.79 0.00 0.00 177.10 176.79 3ca4 n VAL 129 N 5.91 0.35 -4.12 -5.21 0.24 -1.26 -4.83 118.33 109.41 3ca4 n VAL 129 Ca -0.01 -0.39 -0.33 0.00 -2.04 0.00 0.00 64.34 61.57 3ca4 n VAL 129 Cb 0.47 0.23 -0.07 0.00 -1.47 0.00 0.00 33.84 33.00 3ca4 n VAL 129 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 3ca4 s LYS 130 N -1.65 3.01 0.56 7.34 1.02 -1.26 -4.91 119.74 123.85 3ca4 s LYS 130 Ca 0.24 -0.52 -0.20 0.00 0.02 0.00 0.00 55.97 55.52 3ca4 s LYS 130 Cb 0.13 -2.82 -0.06 0.00 -0.52 0.00 0.00 37.83 34.55 3ca4 s LYS 130 CO 0.17 0.64 1.00 -2.30 -0.92 0.00 0.00 175.35 173.94 3ca4 n PRO 131 N 1.17 1.06 -2.93 -1.68 -0.02 -1.26 -4.95 135.00 126.40 3ca4 n PRO 131 Ca -0.13 0.40 -0.40 0.00 -2.02 0.00 0.00 63.50 61.35 3ca4 n PRO 131 Cb 0.53 -2.17 -0.04 0.00 -0.02 0.00 0.00 33.50 31.79 3ca4 n PRO 131 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3ca4 s ILE 132 N -1.45 4.83 -0.23 4.25 -1.09 -1.05 -4.81 121.20 121.64 3ca4 s ILE 132 Ca 0.72 1.69 -0.07 0.00 -2.23 0.00 0.00 60.65 60.77 3ca4 s ILE 132 Cb -0.44 -4.15 -0.03 0.00 -1.58 0.00 0.00 42.46 36.26 3ca4 s ILE 132 CO 0.50 0.29 0.06 -0.69 -1.23 0.00 0.00 174.94 173.86 3ca4 s VAL 133 N 0.40 4.35 0.06 2.92 1.01 -1.26 -0.31 120.40 127.57 3ca4 s VAL 133 Ca 0.41 -0.17 -0.13 0.00 0.00 0.00 0.00 61.98 62.10 3ca4 s VAL 133 Cb -0.20 -3.01 0.02 0.00 0.00 0.00 0.00 36.38 33.19 3ca4 s VAL 133 CO 0.23 0.37 0.29 0.00 0.00 0.00 0.00 175.10 175.99 3ca4 s ALA 134 N 1.34 -0.63 0.66 5.51 0.00 -0.31 -1.92 121.76 126.40 3ca4 s ALA 134 Ca 0.05 -0.09 -0.13 0.00 0.00 0.00 0.00 51.96 51.79 3ca4 s ALA 134 Cb -0.15 0.37 -0.01 0.00 0.00 0.00 0.00 23.12 23.34 3ca4 s ALA 134 CO 0.03 -0.44 1.06 -1.12 0.00 0.00 0.00 175.76 175.30 3ca4 s SER 135 N -2.22 5.45 -0.28 0.00 0.01 0.11 -0.99 113.70 115.79 3ca4 s SER 135 Ca -0.03 1.74 0.03 0.00 1.31 0.00 0.00 55.95 59.00 3ca4 s SER 135 Cb 0.00 -2.52 0.07 0.00 0.21 0.00 0.00 66.02 63.78 3ca4 s SER 135 CO -0.05 -1.39 -0.07 -0.63 0.41 0.00 0.00 173.24 171.50 3ca4 s ILE 136 N -2.75 2.19 -0.18 1.44 1.01 -1.26 -1.51 121.20 120.14 3ca4 s ILE 136 Ca 0.61 -1.80 -0.10 0.00 0.00 0.00 0.00 60.65 59.37 3ca4 s ILE 136 Cb -0.15 -2.37 -0.05 0.00 0.01 0.00 0.00 42.46 39.90 3ca4 s ILE 136 CO 0.47 -0.16 0.14 -0.69 0.00 0.00 0.00 174.94 174.71 3ca4 s VAL 137 N 1.06 5.42 0.00 2.92 1.01 0.11 -0.77 120.40 130.14 3ca4 s VAL 137 Ca -0.05 0.22 0.00 0.00 0.00 0.00 0.00 61.98 62.15 3ca4 s VAL 137 Cb -0.20 -3.47 0.00 0.00 0.00 0.00 0.00 36.38 32.71 3ca4 s VAL 137 CO -0.06 0.46 0.00 0.61 0.00 0.00 0.00 175.10 176.12 3ca4 n GLY 138 N 3.28 5.24 3.63 4.51 0.00 0.54 -0.35 105.19 122.04 3ca4 n GLY 138 Ca -0.16 -0.94 -0.46 0.00 0.00 0.00 0.00 46.02 44.46 3ca4 n GLY 138 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3ca4 n TYR 139 N 0.00 1.77 -1.55 1.61 9.36 -1.25 -0.66 117.16 126.44 3ca4 n TYR 139 Ca 0.00 0.55 -0.19 0.00 3.32 0.00 0.00 57.90 61.58 3ca4 n TYR 139 Cb 0.00 -2.37 -0.08 0.00 -0.63 0.00 0.00 39.34 36.26 3ca4 n TYR 139 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 3ca4 n LYS 140 N 1.70 -1.37 -2.16 2.98 5.02 -1.26 -1.73 118.16 121.33 3ca4 n LYS 140 Ca 0.12 1.17 -0.19 0.00 -2.02 0.00 0.00 58.31 57.40 3ca4 n LYS 140 Cb 0.29 -5.50 -0.03 0.00 -0.02 0.00 0.00 35.03 29.77 3ca4 n LYS 140 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3ca4 n GLU 141 N -2.35 -1.45 -2.74 1.97 -0.58 0.17 -5.00 120.64 110.66 3ca4 n GLU 141 Ca -0.19 0.97 -0.24 0.00 -0.42 0.00 0.00 57.16 57.28 3ca4 n GLU 141 Cb 0.64 -5.46 0.02 0.00 -0.57 0.00 0.00 31.44 26.08 3ca4 n GLU 141 CO 0.00 0.00 0.00 -1.64 -0.48 0.00 0.00 177.13 175.01 3ca4 s MET 142 N -4.61 2.90 -0.09 3.49 -1.94 -0.71 -4.56 119.30 113.78 3ca4 s MET 142 Ca 0.00 -0.41 -0.00 0.00 -1.71 0.00 0.00 55.69 53.57 3ca4 s MET 142 Cb 0.00 -2.45 -0.03 0.00 2.01 0.00 0.00 34.83 34.36 3ca4 s MET 142 CO 0.00 -0.50 -0.06 0.00 -0.01 0.00 0.00 175.02 174.45 3ca4 s LEU 144 N -0.60 4.44 -0.01 0.00 2.96 0.05 -1.23 118.68 124.29 3ca4 s LEU 144 Ca 0.09 2.53 0.01 0.00 -0.22 0.00 0.00 54.13 56.54 3ca4 s LEU 144 Cb -0.12 -3.63 0.01 0.00 0.50 0.00 0.00 46.19 42.95 3ca4 s LEU 144 CO 0.02 -0.50 -0.02 -1.58 -1.32 0.00 0.00 176.35 172.95 3ca4 s GLN 145 N -0.98 0.28 0.59 1.98 0.74 0.36 -4.46 119.66 118.17 3ca4 s GLN 145 Ca 0.52 -0.07 -0.07 0.00 0.05 0.00 0.00 55.36 55.80 3ca4 s GLN 145 Cb -0.38 -0.32 0.00 0.00 1.10 0.00 0.00 33.01 33.42 3ca4 s GLN 145 CO 0.45 0.02 0.92 -1.54 -0.55 0.00 0.00 175.29 174.59 3ca4 s SER 146 N 0.21 5.68 0.00 6.67 1.04 -0.28 -1.47 113.70 125.56 3ca4 s SER 146 Ca -0.02 0.83 0.19 0.00 0.48 0.00 0.00 55.95 57.43 3ca4 s SER 146 Cb -0.05 -1.84 0.31 0.00 0.10 0.00 0.00 66.02 64.55 3ca4 s SER 146 CO -0.01 -1.04 1.12 0.59 0.98 0.00 0.00 173.24 174.89 3ca4 n ASN 147 N -2.61 0.46 0.00 7.02 3.02 -1.25 -4.83 115.26 117.06 3ca4 n ASN 147 Ca 0.04 -2.00 0.00 0.00 -0.03 0.00 0.00 54.58 52.60 3ca4 n ASN 147 Cb 0.57 -0.14 0.00 0.00 -0.61 0.00 0.00 39.78 39.60 3ca4 n ASN 147 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3ca4 n GLY 148 N 0.36 2.58 3.76 7.41 0.00 -1.26 -4.73 105.19 113.31 3ca4 n GLY 148 Ca -0.03 -1.90 -0.41 0.00 0.00 0.00 0.00 46.02 43.68 3ca4 n GLY 148 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3ca4 n GLU 149 N 0.98 2.61 -0.51 1.61 2.13 -1.26 -2.01 120.64 124.19 3ca4 n GLU 149 Ca 0.00 0.92 0.00 0.00 0.66 0.00 0.00 57.16 58.74 3ca4 n GLU 149 Cb 0.00 -2.64 0.00 0.00 0.27 0.00 0.00 31.44 29.07 3ca4 n GLU 149 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 3ca4 n ASN 150 N 0.85 0.00 -4.98 4.31 4.13 0.31 -4.97 115.26 114.90 3ca4 n ASN 150 Ca 0.03 0.00 -0.20 0.00 1.68 0.00 0.00 54.58 56.09 3ca4 n ASN 150 Cb 0.38 -0.71 -0.01 0.00 -1.54 0.00 0.00 39.78 37.90 3ca4 n ASN 150 CO 0.00 0.00 0.00 0.21 0.28 0.00 0.00 177.26 177.75 3ca4 s ASN 151 N -2.92 6.04 0.70 6.41 3.84 -0.85 -4.78 114.94 123.38 3ca4 s ASN 151 Ca 0.00 -0.05 -0.14 0.00 0.21 0.00 0.00 52.86 52.88 3ca4 s ASN 151 Cb 0.00 -1.43 0.02 0.00 -0.55 0.00 0.00 41.25 39.29 3ca4 s ASN 151 CO 0.00 -0.38 1.12 -0.83 -2.79 0.00 0.00 177.10 174.22 3ca4 s GLY 152 N -4.13 2.07 0.40 1.21 0.00 -1.26 -1.33 107.32 104.27 3ca4 s GLY 152 Ca 0.43 0.53 -0.06 0.00 0.00 0.00 0.00 44.72 45.61 3ca4 s GLY 152 CO 0.32 0.89 0.70 -1.34 0.00 0.00 0.00 173.10 173.66 3ca4 s VAL 153 N -2.42 4.92 0.32 1.40 -7.23 -0.93 -3.88 120.40 112.58 3ca4 s VAL 153 Ca 0.67 0.24 -0.18 0.00 -1.81 0.00 0.00 61.98 60.89 3ca4 s VAL 153 Cb -0.21 -3.79 0.05 0.00 0.56 0.00 0.00 36.38 33.00 3ca4 s VAL 153 CO 0.45 -0.58 0.82 -1.66 -0.31 0.00 0.00 175.10 173.82 3ca4 s TRP 154 N -2.42 0.04 0.06 2.82 -2.14 -0.54 -3.75 118.94 113.02 3ca4 s TRP 154 Ca 0.47 -0.62 -0.17 0.00 2.66 0.00 0.00 56.10 58.44 3ca4 s TRP 154 Cb -0.10 0.79 -0.06 0.00 -3.10 0.00 0.00 33.47 30.99 3ca4 s TRP 154 CO 0.36 -1.37 0.52 -1.64 -2.66 0.00 0.00 176.95 172.15 3ca4 s MET 155 N -2.65 4.08 0.02 3.25 -1.94 -1.26 -0.49 119.30 120.31 3ca4 s MET 155 Ca 0.15 0.60 -0.06 0.00 -1.71 0.00 0.00 55.69 54.67 3ca4 s MET 155 Cb -0.05 -3.18 -0.01 0.00 2.01 0.00 0.00 34.83 33.61 3ca4 s MET 155 CO 0.09 0.63 0.10 -1.21 -0.01 0.00 0.00 175.02 174.62 3ca4 s GLU 156 N -1.25 0.51 0.19 2.03 0.41 -0.36 -4.94 118.70 115.29 3ca4 s GLU 156 Ca 0.29 -0.57 -0.32 0.00 -0.41 0.00 0.00 54.97 53.96 3ca4 s GLU 156 Cb -0.18 0.21 -0.15 0.00 -1.78 0.00 0.00 34.13 32.22 3ca4 s GLU 156 CO 0.17 -0.12 1.16 -0.25 -0.49 0.00 0.00 175.26 175.73 3ca4 n ASP 157 N 1.17 1.41 -4.73 -0.19 8.00 -1.26 -0.68 116.55 120.27 3ca4 n ASP 157 Ca -0.21 1.15 -0.42 0.00 0.71 0.00 0.00 54.79 56.02 3ca4 n ASP 157 Cb 0.57 -1.24 -0.03 0.00 -0.02 0.00 0.00 41.12 40.41 3ca4 n ASP 157 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3ca4 s GLU 159 N 0.43 -0.05 0.55 0.00 0.41 -1.26 -5.02 118.70 113.77 3ca4 s GLU 159 Ca 0.66 0.35 0.30 0.00 -0.41 0.00 0.00 54.97 55.86 3ca4 s GLU 159 Cb -0.43 -0.50 1.46 0.00 -1.78 0.00 0.00 34.13 32.88 3ca4 s GLU 159 CO 0.37 -0.31 1.90 0.00 -0.49 0.00 0.00 175.26 176.73 3ca4 h ALA 160 N 8.31 2.59 -0.07 5.21 0.00 -2.02 0.08 119.26 133.35 3ca4 h ALA 160 Ca -0.16 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.73 3ca4 h ALA 160 Cb 1.12 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.96 3ca4 h ALA 160 CO 0.19 -0.94 0.00 0.25 0.00 0.00 0.00 179.25 178.75 3ca4 n THR 161 N -4.09 0.07 -2.93 0.00 -2.24 -1.26 -4.83 114.28 99.00 3ca4 n THR 161 Ca 0.14 -0.37 -0.43 0.00 -2.27 0.00 0.00 64.05 61.12 3ca4 n THR 161 Cb 0.83 0.79 -0.05 0.00 -2.10 0.00 0.00 70.33 69.80 3ca4 n THR 161 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3ca4 s SER 162 N -1.89 6.42 0.36 3.42 0.15 0.01 -4.89 113.70 117.28 3ca4 s SER 162 Ca 0.34 -0.11 0.17 0.00 0.70 0.00 0.00 55.95 57.05 3ca4 s SER 162 Cb 0.20 -2.40 0.66 0.00 -1.71 0.00 0.00 66.02 62.78 3ca4 s SER 162 CO 0.31 -0.96 1.74 -0.07 1.20 0.00 0.00 173.24 175.46 3ca4 h LEU 163 N 10.27 0.00 0.00 3.45 3.38 -1.88 -2.25 115.31 128.27 3ca4 h LEU 163 Ca -0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.72 3ca4 h LEU 163 Cb 1.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.83 3ca4 h LEU 163 CO 0.98 0.41 0.00 0.00 0.09 0.00 0.00 178.44 179.92 3ca4 n GLN 164 N -3.65 0.21 -0.12 1.13 6.02 -1.26 -1.24 117.38 118.49 3ca4 n GLN 164 Ca -0.01 0.12 0.11 0.00 -0.01 0.00 0.00 57.00 57.21 3ca4 n GLN 164 Cb 0.50 -1.50 0.31 0.00 1.02 0.00 0.00 30.24 30.58 3ca4 n GLN 164 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 3ca4 n GLN 165 N -1.34 1.96 -3.77 -1.09 6.02 -0.85 -1.13 117.38 117.19 3ca4 n GLN 165 Ca 0.08 -1.45 -0.36 0.00 -0.01 0.00 0.00 57.00 55.26 3ca4 n GLN 165 Cb 0.17 -1.42 -0.10 0.00 1.02 0.00 0.00 30.24 29.91 3ca4 n GLN 165 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 3ca4 s GLN 166 N -1.70 3.96 -0.05 -1.09 -0.21 -0.37 -4.28 119.66 115.92 3ca4 s GLN 166 Ca 0.34 -0.33 0.06 0.00 0.02 0.00 0.00 55.36 55.44 3ca4 s GLN 166 Cb 0.19 -3.42 -0.01 0.00 1.00 0.00 0.00 33.01 30.77 3ca4 s GLN 166 CO 0.27 0.06 -0.23 -1.58 -2.12 0.00 0.00 175.29 171.68 3ca4 s TRP 167 N 1.02 2.26 -0.31 0.91 0.52 -0.16 -1.68 118.94 121.49 3ca4 s TRP 167 Ca 0.06 -0.63 -0.16 0.00 0.02 0.00 0.00 56.10 55.39 3ca4 s TRP 167 Cb -0.14 -1.48 -0.02 0.00 -1.15 0.00 0.00 33.47 30.68 3ca4 s TRP 167 CO 0.04 -0.18 0.41 0.00 0.02 0.00 0.00 176.95 177.23 3ca4 s ALA 168 N -0.19 3.52 -0.58 0.98 0.00 0.12 -1.16 121.76 124.45 3ca4 s ALA 168 Ca -0.02 -1.00 -0.19 0.00 0.00 0.00 0.00 51.96 50.75 3ca4 s ALA 168 Cb -0.13 -2.83 0.09 0.00 0.00 0.00 0.00 23.12 20.25 3ca4 s ALA 168 CO 0.03 -0.94 0.72 -0.51 0.00 0.00 0.00 175.76 175.06 3ca4 s LEU 169 N 2.13 5.14 0.53 0.00 1.43 0.58 -0.94 118.68 127.55 3ca4 s LEU 169 Ca 0.15 -1.24 -0.11 0.00 -1.03 0.00 0.00 54.13 51.90 3ca4 s LEU 169 Cb -0.16 -2.36 -0.05 0.00 0.03 0.00 0.00 46.19 43.65 3ca4 s LEU 169 CO 0.11 -1.11 0.93 -0.31 0.23 0.00 0.00 176.35 176.20 3ca4 s TYR 170 N 2.87 3.54 0.38 0.29 1.51 -0.80 -2.54 117.35 122.59 3ca4 s TYR 170 Ca 0.14 1.21 0.30 0.00 -1.01 0.00 0.00 57.07 57.70 3ca4 s TYR 170 Cb -0.22 -2.61 1.50 0.00 -0.11 0.00 0.00 41.96 40.52 3ca4 s TYR 170 CO 0.08 -0.42 2.07 0.78 -1.11 0.00 0.00 175.55 176.95 3ca4 h GLY 171 N 0.40 0.00 -0.23 0.71 0.00 -1.84 -1.08 103.07 101.03 3ca4 h GLY 171 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.87 3ca4 h GLY 171 CO 0.62 0.00 0.00 2.09 0.00 0.00 0.00 176.54 179.25 3ca4 n ASP 172 N -3.49 0.32 -0.42 0.19 5.68 -1.22 -2.13 116.55 115.49 3ca4 n ASP 172 Ca -0.01 -2.00 -0.05 0.00 -0.50 0.00 0.00 54.79 52.22 3ca4 n ASP 172 Cb 0.24 -0.05 -0.02 0.00 -1.14 0.00 0.00 41.12 40.15 3ca4 n ASP 172 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 3ca4 n ARG 173 N -0.33 -0.40 -3.14 0.11 5.12 -0.41 -4.20 116.66 113.41 3ca4 n ARG 173 Ca 0.02 0.68 -0.28 0.00 -1.93 0.00 0.00 57.85 56.34 3ca4 n ARG 173 Cb 0.05 -4.41 -0.02 0.00 -1.16 0.00 0.00 32.46 26.92 3ca4 n ARG 173 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 3ca4 s THR 174 N -2.19 4.98 -0.27 0.55 -4.23 -1.25 -1.06 115.64 112.16 3ca4 s THR 174 Ca 0.00 0.10 0.00 0.00 -1.18 0.00 0.00 61.69 60.61 3ca4 s THR 174 Cb 0.00 -3.78 0.05 0.00 1.34 0.00 0.00 72.50 70.11 3ca4 s THR 174 CO 0.00 -0.48 -0.06 -0.63 -0.54 0.00 0.00 174.62 172.91 3ca4 s ILE 175 N -2.28 2.62 0.18 2.99 1.01 -1.26 -1.91 121.20 122.54 3ca4 s ILE 175 Ca 0.45 -1.42 0.08 0.00 0.00 0.00 0.00 60.65 59.77 3ca4 s ILE 175 Cb -0.10 -2.48 -0.04 0.00 0.01 0.00 0.00 42.46 39.84 3ca4 s ILE 175 CO 0.34 -0.01 -0.06 -0.13 0.00 0.00 0.00 174.94 175.08 3ca4 s ARG 176 N 1.21 2.20 -0.09 2.79 0.52 -0.12 -0.71 118.95 124.76 3ca4 s ARG 176 Ca -0.06 -1.20 -0.30 0.00 -0.52 0.00 0.00 55.73 53.66 3ca4 s ARG 176 Cb -0.19 -2.24 -0.05 0.00 0.52 0.00 0.00 34.95 32.98 3ca4 s ARG 176 CO -0.03 0.44 1.64 0.08 0.02 0.00 0.00 175.30 177.45 3ca4 s VAL 177 N -1.71 3.62 0.30 3.52 1.01 -0.87 -0.71 120.40 125.57 3ca4 s VAL 177 Ca 0.26 0.74 -0.01 0.00 0.00 0.00 0.00 61.98 62.97 3ca4 s VAL 177 Cb -0.09 -3.51 0.25 0.00 0.00 0.00 0.00 36.38 33.03 3ca4 s VAL 177 CO 0.17 -0.10 1.95 -1.13 0.00 0.00 0.00 175.10 175.99 3ca4 h ASN 178 N 9.75 0.90 0.68 3.32 -1.24 -1.61 -1.11 115.58 126.27 3ca4 h ASN 178 Ca -0.38 -0.04 0.00 0.00 0.71 0.00 0.00 56.30 56.59 3ca4 h ASN 178 Cb 1.17 -0.23 0.00 0.00 0.73 0.00 0.00 38.32 40.00 3ca4 h ASN 178 CO 0.96 0.68 0.00 -1.20 -1.29 0.00 0.00 177.43 176.58 3ca4 n SER 179 N -4.39 0.00 -2.98 1.15 7.64 -1.26 -4.39 113.62 109.38 3ca4 n SER 179 Ca 0.08 0.26 -0.13 0.00 1.01 0.00 0.00 58.87 60.09 3ca4 n SER 179 Cb 0.06 -0.41 -0.03 0.00 -1.01 0.00 0.00 64.21 62.82 3ca4 n SER 179 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 3ca4 n THR 180 N -1.41 -0.42 1.94 0.44 -1.04 -0.43 -5.03 114.28 108.33 3ca4 n THR 180 Ca 0.08 -1.95 0.14 0.00 -2.04 0.00 0.00 64.05 60.28 3ca4 n THR 180 Cb 0.25 0.06 0.82 0.00 -1.82 0.00 0.00 70.33 69.64 3ca4 n THR 180 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 3ca4 n ARG 181 N 2.72 0.97 0.00 -2.82 1.74 -1.16 -1.78 116.66 116.33 3ca4 n ARG 181 Ca 0.21 0.00 0.14 0.00 -0.77 0.00 0.00 57.85 57.43 3ca4 n ARG 181 Cb 0.54 -1.45 0.73 0.00 -1.02 0.00 0.00 32.46 31.26 3ca4 n ARG 181 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3ca4 n GLY 182 N 0.89 -1.12 3.40 -0.13 0.00 -1.26 -4.87 105.19 102.10 3ca4 n GLY 182 Ca 0.21 -0.14 -0.32 0.00 0.00 0.00 0.00 46.02 45.76 3ca4 n GLY 182 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ca4 s LEU 183 N -2.43 2.49 0.04 0.99 1.43 -0.74 -0.67 118.68 119.79 3ca4 s LEU 183 Ca 0.30 -0.31 0.06 0.00 -1.03 0.00 0.00 54.13 53.15 3ca4 s LEU 183 Cb 0.19 -1.49 -0.02 0.00 0.03 0.00 0.00 46.19 44.90 3ca4 s LEU 183 CO 0.40 0.31 -0.18 0.00 0.23 0.00 0.00 176.35 177.11 3ca4 s VAL 185 N -0.80 3.18 -0.03 0.00 1.01 0.11 -1.66 120.40 122.22 3ca4 s VAL 185 Ca 0.05 0.66 0.01 0.00 0.00 0.00 0.00 61.98 62.70 3ca4 s VAL 185 Cb -0.08 -3.42 0.02 0.00 0.00 0.00 0.00 36.38 32.90 3ca4 s VAL 185 CO 0.01 0.01 -0.02 -0.89 0.00 0.00 0.00 175.10 174.21 3ca4 s THR 186 N 2.36 0.33 0.17 3.92 2.01 0.60 -4.47 115.64 120.56 3ca4 s THR 186 Ca 0.70 -0.02 -0.30 0.00 0.31 0.00 0.00 61.69 62.39 3ca4 s THR 186 Cb -0.38 -0.39 -0.07 0.00 0.01 0.00 0.00 72.50 71.67 3ca4 s THR 186 CO 0.31 0.17 0.94 0.28 -0.69 0.00 0.00 174.62 175.63 3ca4 s THR 187 N 0.88 4.30 -1.20 -0.82 -1.32 -0.08 -0.74 115.64 116.66 3ca4 s THR 187 Ca -0.10 2.05 -0.06 0.00 -1.21 0.00 0.00 61.69 62.38 3ca4 s THR 187 Cb -0.13 -4.31 0.21 0.00 -1.51 0.00 0.00 72.50 66.76 3ca4 s THR 187 CO -0.01 0.41 1.92 -3.20 -2.21 0.00 0.00 174.62 171.53 3ca4 n ASN 188 N 2.12 6.59 0.00 8.08 2.85 0.64 -4.83 115.26 130.71 3ca4 n ASN 188 Ca -0.00 -3.29 0.00 0.00 -0.11 0.00 0.00 54.58 51.18 3ca4 n ASN 188 Cb 0.48 -1.35 0.00 0.00 1.24 0.00 0.00 39.78 40.15 3ca4 n ASN 188 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 3ca4 n GLY 189 N 1.68 2.89 0.96 8.20 0.00 -1.26 -4.45 105.19 113.21 3ca4 n GLY 189 Ca 0.44 -2.06 0.08 0.00 0.00 0.00 0.00 46.02 44.47 3ca4 n GLY 189 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3ca4 n TYR 190 N -1.03 0.84 -3.96 1.61 4.02 -1.26 -4.88 117.16 112.50 3ca4 n TYR 190 Ca 0.00 -0.61 -0.28 0.00 -0.01 0.00 0.00 57.90 57.01 3ca4 n TYR 190 Cb 0.00 -0.13 -0.04 0.00 -0.02 0.00 0.00 39.34 39.15 3ca4 n TYR 190 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 176.86 175.05 3ca4 s ASN 191 N -1.19 6.22 0.19 7.72 0.01 -1.26 -4.78 114.94 121.87 3ca4 s ASN 191 Ca 0.36 0.16 -0.32 0.00 -0.71 0.00 0.00 52.86 52.35 3ca4 s ASN 191 Cb 0.23 -1.86 -0.15 0.00 0.41 0.00 0.00 41.25 39.88 3ca4 s ASN 191 CO 0.18 0.10 1.27 -0.24 -1.51 0.00 0.00 177.10 176.89 3ca4 n SER 192 N -0.21 1.90 0.00 -1.22 2.88 -1.26 -1.54 113.62 114.16 3ca4 n SER 192 Ca -0.07 1.14 0.00 0.00 -1.33 0.00 0.00 58.87 58.61 3ca4 n SER 192 Cb 0.53 -1.30 0.00 0.00 -0.75 0.00 0.00 64.21 62.69 3ca4 n SER 192 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 3ca4 n LYS 193 N 1.92 -0.01 -1.94 -1.46 5.02 0.28 -5.02 118.16 116.94 3ca4 n LYS 193 Ca 0.14 0.00 -0.39 0.00 -2.02 0.00 0.00 58.31 56.04 3ca4 n LYS 193 Cb 0.27 -2.63 0.01 0.00 -0.02 0.00 0.00 35.03 32.66 3ca4 n LYS 193 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3ca4 s ASP 194 N -2.84 6.08 0.48 4.39 1.01 -0.59 -4.77 116.67 120.42 3ca4 s ASP 194 Ca 0.00 2.76 -0.18 0.00 0.71 0.00 0.00 52.55 55.85 3ca4 s ASP 194 Cb 0.00 -2.64 -0.09 0.00 1.01 0.00 0.00 42.92 41.20 3ca4 s ASP 194 CO 0.00 -1.02 0.96 -0.76 0.21 0.00 0.00 175.17 174.56 3ca4 s LEU 195 N -2.62 3.74 -0.20 1.23 1.43 -1.26 -1.40 118.68 119.61 3ca4 s LEU 195 Ca 0.59 1.58 -0.08 0.00 -1.03 0.00 0.00 54.13 55.19 3ca4 s LEU 195 Cb -0.40 -4.49 -0.04 0.00 0.03 0.00 0.00 46.19 41.29 3ca4 s LEU 195 CO 0.52 -0.50 0.08 -0.63 0.23 0.00 0.00 176.35 176.05 3ca4 s ILE 196 N -2.46 4.86 0.37 -0.59 1.01 0.14 -0.26 121.20 124.27 3ca4 s ILE 196 Ca 0.59 -0.00 0.05 0.00 0.00 0.00 0.00 60.65 61.29 3ca4 s ILE 196 Cb -0.10 -3.21 -0.02 0.00 0.01 0.00 0.00 42.46 39.14 3ca4 s ILE 196 CO 0.25 0.43 0.19 2.30 0.00 0.00 0.00 174.94 178.12 3ca4 n ILE 197 N 3.75 0.00 -4.22 2.92 -5.35 0.08 -2.19 119.36 114.36 3ca4 n ILE 197 Ca -0.16 -2.33 -0.34 0.00 -0.27 0.00 0.00 62.75 59.64 3ca4 n ILE 197 Cb 0.52 0.96 -0.12 0.00 -1.74 0.00 0.00 39.64 39.26 3ca4 n ILE 197 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 3ca4 s ILE 198 N -3.15 3.95 0.06 7.28 -1.09 -0.44 -0.29 121.20 127.52 3ca4 s ILE 198 Ca 0.27 -0.32 0.02 0.00 -2.23 0.00 0.00 60.65 58.38 3ca4 s ILE 198 Cb 0.01 -2.76 -0.03 0.00 -1.58 0.00 0.00 42.46 38.10 3ca4 s ILE 198 CO 0.19 0.46 -0.06 -0.22 -1.23 0.00 0.00 174.94 174.08 3ca4 s LEU 199 N 0.68 2.35 0.14 2.97 2.96 -0.66 0.11 118.68 127.23 3ca4 s LEU 199 Ca -0.01 -0.72 -0.34 0.00 -0.22 0.00 0.00 54.13 52.83 3ca4 s LEU 199 Cb -0.14 -0.07 -0.16 0.00 0.50 0.00 0.00 46.19 46.32 3ca4 s LEU 199 CO 0.02 -0.33 1.28 1.17 -1.32 0.00 0.00 176.35 177.17 3ca4 n LYS 200 N 0.90 1.26 -1.75 1.98 4.81 -1.26 -0.51 118.16 123.59 3ca4 n LYS 200 Ca -0.19 0.45 -0.42 0.00 -0.87 0.00 0.00 58.31 57.28 3ca4 n LYS 200 Cb 0.57 -2.04 -0.03 0.00 0.02 0.00 0.00 35.03 33.55 3ca4 n LYS 200 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3ca4 n GLN 202 N 5.24 0.69 -1.00 0.00 6.02 -1.26 -5.01 117.38 122.06 3ca4 n GLN 202 Ca 0.17 -0.91 -0.00 0.00 -0.01 0.00 0.00 57.00 56.25 3ca4 n GLN 202 Cb 0.38 -0.66 -0.00 0.00 1.02 0.00 0.00 30.24 30.98 3ca4 n GLN 202 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3ca4 n GLY 203 N -0.19 0.48 3.87 1.08 0.00 -1.26 -4.96 105.19 104.21 3ca4 n GLY 203 Ca 0.01 -0.01 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 3ca4 n GLY 203 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ca4 s LEU 204 N -0.00 3.33 0.57 0.99 1.43 -1.26 -1.76 118.68 121.98 3ca4 s LEU 204 Ca 0.00 1.41 0.26 0.00 -1.03 0.00 0.00 54.13 54.77 3ca4 s LEU 204 Cb 0.00 -4.43 1.67 0.00 0.03 0.00 0.00 46.19 43.45 3ca4 s LEU 204 CO 0.00 -0.80 2.21 -0.65 0.23 0.00 0.00 176.35 177.34 3ca4 h PRO 205 N -0.06 0.00 0.00 1.29 0.11 -1.84 -0.90 132.00 130.61 3ca4 h PRO 205 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3ca4 h PRO 205 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3ca4 h PRO 205 CO 0.62 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.28 3ca4 n SER 206 N -4.02 0.00 -0.31 -2.05 3.41 -1.26 -2.90 113.62 106.48 3ca4 n SER 206 Ca -0.02 0.09 0.03 0.00 -0.26 0.00 0.00 58.87 58.70 3ca4 n SER 206 Cb 0.12 -0.31 0.06 0.00 -0.26 0.00 0.00 64.21 63.82 3ca4 n SER 206 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3ca4 n GLN 207 N -1.31 1.74 -3.94 4.33 6.02 -0.37 -0.90 117.38 122.95 3ca4 n GLN 207 Ca 0.08 -1.44 -0.36 0.00 -0.01 0.00 0.00 57.00 55.27 3ca4 n GLN 207 Cb 0.16 -1.14 -0.08 0.00 1.02 0.00 0.00 30.24 30.20 3ca4 n GLN 207 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 3ca4 s ARG 208 N -0.81 3.67 0.05 -1.09 3.52 -1.14 -4.24 118.95 118.91 3ca4 s ARG 208 Ca 0.11 -0.23 0.02 0.00 -0.13 0.00 0.00 55.73 55.49 3ca4 s ARG 208 Cb 0.06 -3.20 -0.03 0.00 -1.56 0.00 0.00 34.95 30.23 3ca4 s ARG 208 CO 0.08 0.55 -0.07 -1.58 -0.81 0.00 0.00 175.30 173.48 3ca4 s TRP 209 N -0.38 0.67 -0.06 5.12 0.52 -0.22 -4.13 118.94 120.46 3ca4 s TRP 209 Ca 0.11 -0.65 -0.01 0.00 0.02 0.00 0.00 56.10 55.56 3ca4 s TRP 209 Cb -0.12 -0.41 0.03 0.00 -1.15 0.00 0.00 33.47 31.82 3ca4 s TRP 209 CO 0.01 -0.14 0.00 0.12 0.02 0.00 0.00 176.95 176.97 3ca4 s PHE 210 N -2.16 0.55 -0.52 -1.98 5.36 0.27 -4.77 117.98 114.73 3ca4 s PHE 210 Ca -0.04 -0.10 -0.22 0.00 -0.96 0.00 0.00 56.93 55.62 3ca4 s PHE 210 Cb -0.05 -0.68 0.05 0.00 -0.34 0.00 0.00 43.02 42.00 3ca4 s PHE 210 CO -0.02 -0.26 0.80 -0.06 -1.46 0.00 0.00 175.22 174.22 3ca4 s PHE 211 N 1.67 2.91 0.71 10.12 0.40 -1.26 -0.39 117.98 132.14 3ca4 s PHE 211 Ca 0.00 -0.22 -0.02 0.00 -0.60 0.00 0.00 56.93 56.10 3ca4 s PHE 211 Cb -0.13 -3.82 0.11 0.00 0.51 0.00 0.00 43.02 39.70 3ca4 s PHE 211 CO -0.04 -1.19 0.98 0.54 0.70 0.00 0.00 175.22 176.21 3ca4 s ASN 212 N 2.72 4.46 0.21 1.36 2.20 -0.67 -4.99 114.94 120.23 3ca4 s ASN 212 Ca 0.24 -0.22 0.24 0.00 -0.94 0.00 0.00 52.86 52.18 3ca4 s ASN 212 Cb -0.15 -0.24 0.92 0.00 -2.00 0.00 0.00 41.25 39.77 3ca4 s ASN 212 CO 0.16 -1.78 1.71 -1.54 -2.94 0.00 0.00 177.10 172.72 3ca4 n SER 213 N -2.82 0.61 -0.50 3.54 3.41 -1.26 -2.80 113.62 113.81 3ca4 n SER 213 Ca 0.13 0.62 0.09 0.00 -0.26 0.00 0.00 58.87 59.46 3ca4 n SER 213 Cb 0.60 -0.76 0.33 0.00 -0.26 0.00 0.00 64.21 64.12 3ca4 n SER 213 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3ca4 n ASP 214 N -2.15 1.48 0.00 4.04 8.00 -1.26 -4.91 116.55 121.75 3ca4 n ASP 214 Ca 0.03 -1.76 0.00 0.00 0.71 0.00 0.00 54.79 53.78 3ca4 n ASP 214 Cb 0.28 -0.12 0.00 0.00 -0.02 0.00 0.00 41.12 41.25 3ca4 n ASP 214 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3ca4 n GLY 215 N 1.05 0.68 3.91 0.44 0.00 -1.12 -4.91 105.19 105.24 3ca4 n GLY 215 Ca 0.14 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.89 3ca4 n GLY 215 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ca4 s ALA 216 N -2.37 3.58 -0.32 4.61 0.00 -1.26 -0.59 121.76 125.41 3ca4 s ALA 216 Ca 0.00 -0.58 -0.03 0.00 0.00 0.00 0.00 51.96 51.35 3ca4 s ALA 216 Cb 0.00 -2.35 0.05 0.00 0.00 0.00 0.00 23.12 20.82 3ca4 s ALA 216 CO 0.00 0.09 0.05 0.42 0.00 0.00 0.00 175.76 176.32 3ca4 s ILE 217 N -2.25 3.26 -0.11 0.00 1.01 -1.26 -1.67 121.20 120.18 3ca4 s ILE 217 Ca 0.44 -1.36 -0.04 0.00 0.00 0.00 0.00 60.65 59.69 3ca4 s ILE 217 Cb -0.10 -2.89 -0.04 0.00 0.01 0.00 0.00 42.46 39.44 3ca4 s ILE 217 CO 0.33 -0.17 0.07 -0.69 0.00 0.00 0.00 174.94 174.47 3ca4 s VAL 218 N 1.29 4.86 -0.45 2.92 1.01 0.48 -0.83 120.40 129.68 3ca4 s VAL 218 Ca -0.03 -0.04 -0.18 0.00 0.00 0.00 0.00 61.98 61.74 3ca4 s VAL 218 Cb -0.20 -3.09 0.04 0.00 0.00 0.00 0.00 36.38 33.13 3ca4 s VAL 218 CO -0.00 0.60 0.48 0.21 0.00 0.00 0.00 175.10 176.39 3ca4 s ASN 219 N -0.84 6.20 0.25 3.32 3.84 0.12 -0.56 114.94 127.26 3ca4 s ASN 219 Ca 0.13 -0.81 -0.06 0.00 0.21 0.00 0.00 52.86 52.33 3ca4 s ASN 219 Cb -0.12 -2.24 0.28 0.00 -0.55 0.00 0.00 41.25 38.63 3ca4 s ASN 219 CO 0.03 -0.67 1.92 -0.65 -2.79 0.00 0.00 177.10 174.93 3ca4 h PRO 220 N 8.80 1.27 0.10 0.43 0.11 -1.86 -0.14 132.00 140.72 3ca4 h PRO 220 Ca -0.27 -0.08 0.01 0.00 0.11 0.00 0.00 66.00 65.77 3ca4 h PRO 220 Cb 1.11 -0.29 -0.02 0.00 0.11 0.00 0.00 31.00 31.91 3ca4 h PRO 220 CO 0.85 0.84 -0.14 -0.22 -0.21 0.00 0.00 178.00 179.12 3ca4 h LYS 221 N 1.30 -0.27 0.00 1.05 1.63 -1.83 -2.88 116.57 115.58 3ca4 h LYS 221 Ca 0.38 0.02 -0.08 0.00 -0.85 0.00 0.00 60.65 60.11 3ca4 h LYS 221 Cb -0.09 0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 31.59 3ca4 h LYS 221 CO -0.10 -0.18 -0.40 0.66 -3.45 0.00 0.00 179.45 175.98 3ca4 h SER 222 N -0.28 0.00 0.00 4.20 4.64 -1.82 -3.47 113.55 116.81 3ca4 h SER 222 Ca 0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 3ca4 h SER 222 Cb 0.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.38 3ca4 h SER 222 CO -0.07 0.40 0.00 0.54 -0.87 0.00 0.00 176.83 176.84 3ca4 n ARG 223 N -3.32 0.00 -2.62 4.77 1.74 -0.08 -5.03 116.66 112.11 3ca4 n ARG 223 Ca 0.01 0.00 -0.26 0.00 -0.77 0.00 0.00 57.85 56.84 3ca4 n ARG 223 Cb 0.61 -1.55 0.02 0.00 -1.02 0.00 0.00 32.46 30.52 3ca4 n ARG 223 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3ca4 s LEU 224 N 0.00 3.43 0.24 0.55 1.43 -1.22 -4.72 118.68 118.40 3ca4 s LEU 224 Ca 0.00 0.62 0.10 0.00 -1.03 0.00 0.00 54.13 53.82 3ca4 s LEU 224 Cb 0.00 -3.49 -0.05 0.00 0.03 0.00 0.00 46.19 42.69 3ca4 s LEU 224 CO 0.00 -0.86 -0.17 0.68 0.23 0.00 0.00 176.35 176.23 3ca4 s VAL 225 N -2.81 2.08 0.30 -1.59 -7.23 0.04 0.11 120.40 111.30 3ca4 s VAL 225 Ca 0.51 -2.30 -0.30 0.00 -1.81 0.00 0.00 61.98 58.08 3ca4 s VAL 225 Cb -0.10 -2.18 -0.11 0.00 0.56 0.00 0.00 36.38 34.55 3ca4 s VAL 225 CO 0.43 -0.49 1.51 -0.04 -0.31 0.00 0.00 175.10 176.20 3ca4 s MET 226 N -3.58 4.18 -0.14 4.82 -1.94 -0.01 -1.42 119.30 121.22 3ca4 s MET 226 Ca 0.26 2.47 -0.07 0.00 -1.71 0.00 0.00 55.69 56.64 3ca4 s MET 226 Cb -0.03 -3.04 0.05 0.00 2.01 0.00 0.00 34.83 33.82 3ca4 s MET 226 CO 0.11 -0.52 0.32 0.34 -0.01 0.00 0.00 175.02 175.26 3ca4 s ASP 227 N 0.28 -0.35 -0.52 3.03 -1.08 0.06 -4.48 116.67 113.61 3ca4 s ASP 227 Ca 0.59 0.70 -0.28 0.00 -0.52 0.00 0.00 52.55 53.04 3ca4 s ASP 227 Cb -0.45 0.60 0.02 0.00 -1.46 0.00 0.00 42.92 41.64 3ca4 s ASP 227 CO 0.49 -0.18 1.25 -0.69 0.52 0.00 0.00 175.17 176.56 3ca4 s VAL 228 N 1.41 4.01 0.04 1.11 1.01 0.05 -0.82 120.40 127.20 3ca4 s VAL 228 Ca -0.09 0.96 -0.36 0.00 0.00 0.00 0.00 61.98 62.50 3ca4 s VAL 228 Cb -0.10 -4.57 -0.15 0.00 0.00 0.00 0.00 36.38 31.57 3ca4 s VAL 228 CO -0.11 -1.14 1.58 -1.14 0.00 0.00 0.00 175.10 174.30 3ca4 n ARG 229 N 8.26 1.72 -1.67 2.72 0.63 -0.77 -1.06 116.66 126.48 3ca4 n ARG 229 Ca 0.11 0.62 -0.17 0.00 -0.92 0.00 0.00 57.85 57.49 3ca4 n ARG 229 Cb 0.49 -2.35 -0.06 0.00 0.45 0.00 0.00 32.46 30.98 3ca4 n ARG 229 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3ca4 n ALA 230 N 3.98 -0.34 -3.69 5.13 0.00 -1.26 -1.51 120.51 122.82 3ca4 n ALA 230 Ca 0.20 0.26 -0.28 0.00 0.00 0.00 0.00 53.44 53.61 3ca4 n ALA 230 Cb 0.24 -1.78 -0.00 0.00 0.00 0.00 0.00 19.45 17.90 3ca4 n ALA 230 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3ca4 n SER 231 N -1.15 -3.90 -3.85 0.00 7.64 -0.22 -4.93 113.62 107.21 3ca4 n SER 231 Ca -0.18 -0.62 -0.30 0.00 1.01 0.00 0.00 58.87 58.78 3ca4 n SER 231 Cb 0.59 -3.19 -0.14 0.00 -1.01 0.00 0.00 64.21 60.45 3ca4 n SER 231 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 3ca4 s ASN 232 N -2.97 4.20 0.46 6.43 3.84 -0.57 -4.97 114.94 121.36 3ca4 s ASN 232 Ca 0.54 -2.25 0.24 0.00 0.21 0.00 0.00 52.86 51.60 3ca4 s ASN 232 Cb -0.29 -1.26 1.12 0.00 -0.55 0.00 0.00 41.25 40.28 3ca4 s ASN 232 CO 0.67 -0.34 1.93 -0.37 -2.79 0.00 0.00 177.10 176.20 3ca4 h VAL 233 N 6.06 0.66 0.00 -5.21 -1.51 -1.92 -2.26 116.25 112.08 3ca4 h VAL 233 Ca -0.07 -0.91 -0.01 0.00 -1.23 0.00 0.00 66.70 64.48 3ca4 h VAL 233 Cb 0.98 1.58 -0.00 0.00 -2.13 0.00 0.00 31.29 31.72 3ca4 h VAL 233 CO 0.52 0.20 -0.06 0.28 -1.23 0.00 0.00 177.57 177.28 3ca4 h SER 234 N 0.00 0.00 0.63 4.19 0.02 -1.94 -2.12 113.55 114.33 3ca4 h SER 234 Ca -0.00 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.92 3ca4 h SER 234 Cb 0.57 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.10 3ca4 h SER 234 CO 0.03 0.06 -0.15 -0.07 -1.14 0.00 0.00 176.83 175.56 3ca4 h LEU 235 N 0.00 0.00 -1.56 5.07 3.38 -1.75 -3.47 115.31 116.98 3ca4 h LEU 235 Ca -0.00 0.00 -0.43 0.00 0.09 0.00 0.00 57.88 57.54 3ca4 h LEU 235 Cb 0.24 0.00 0.04 0.00 0.09 0.00 0.00 40.66 41.02 3ca4 h LEU 235 CO 0.01 0.15 -0.81 0.54 0.09 0.00 0.00 178.44 178.42 3ca4 n ARG 236 N -3.47 -5.20 -3.79 1.13 1.74 -0.80 -4.98 116.66 101.30 3ca4 n ARG 236 Ca -0.01 0.63 -0.17 0.00 -0.77 0.00 0.00 57.85 57.53 3ca4 n ARG 236 Cb 0.31 -5.29 -0.17 0.00 -1.02 0.00 0.00 32.46 26.30 3ca4 n ARG 236 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 3ca4 s GLU 237 N -6.12 0.08 -0.10 5.56 2.02 -1.26 -4.76 118.70 114.11 3ca4 s GLU 237 Ca 0.17 0.20 0.00 0.00 0.02 0.00 0.00 54.97 55.37 3ca4 s GLU 237 Cb -0.09 -0.41 -0.02 0.00 0.10 0.00 0.00 34.13 33.71 3ca4 s GLU 237 CO 0.81 -0.20 -0.10 0.42 0.02 0.00 0.00 175.26 176.20 3ca4 s ILE 238 N 1.36 3.35 0.36 -1.63 -1.09 -1.25 -1.86 121.20 120.45 3ca4 s ILE 238 Ca -0.05 -0.58 0.05 0.00 -2.23 0.00 0.00 60.65 57.84 3ca4 s ILE 238 Cb -0.13 -2.39 -0.07 0.00 -1.58 0.00 0.00 42.46 38.29 3ca4 s ILE 238 CO -0.03 0.55 0.03 0.27 -1.23 0.00 0.00 174.94 174.53 3ca4 s ILE 239 N -0.13 1.57 0.18 2.92 -4.36 -0.00 -0.68 121.20 120.69 3ca4 s ILE 239 Ca 0.00 -2.01 -0.12 0.00 -0.26 0.00 0.00 60.65 58.26 3ca4 s ILE 239 Cb -0.13 -2.88 -0.07 0.00 1.25 0.00 0.00 42.46 40.63 3ca4 s ILE 239 CO 0.03 -0.01 0.55 0.27 0.24 0.00 0.00 174.94 176.03 3ca4 s ILE 240 N -3.02 4.88 0.02 8.37 -4.36 -0.49 -0.76 121.20 125.84 3ca4 s ILE 240 Ca 0.36 0.69 -0.26 0.00 -0.26 0.00 0.00 60.65 61.18 3ca4 s ILE 240 Cb 0.09 -3.68 0.06 0.00 1.25 0.00 0.00 42.46 40.18 3ca4 s ILE 240 CO 0.17 0.11 0.59 0.12 0.24 0.00 0.00 174.94 176.17 3ca4 s PHE 241 N -1.62 -0.53 0.46 1.37 5.36 -0.51 -0.56 117.98 121.96 3ca4 s PHE 241 Ca 0.42 0.71 -0.24 0.00 -0.96 0.00 0.00 56.93 56.86 3ca4 s PHE 241 Cb -0.13 0.40 -0.08 0.00 -0.34 0.00 0.00 43.02 42.86 3ca4 s PHE 241 CO 0.20 -0.65 1.21 -2.30 -1.46 0.00 0.00 175.22 172.21 3ca4 n PRO 242 N 0.52 1.67 -1.98 10.12 -0.02 -1.26 -0.78 135.00 143.27 3ca4 n PRO 242 Ca -0.19 0.60 -0.42 0.00 -2.02 0.00 0.00 63.50 61.48 3ca4 n PRO 242 Cb 0.60 -2.33 -0.03 0.00 -0.02 0.00 0.00 33.50 31.71 3ca4 n PRO 242 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ca4 s ALA 243 N -1.27 3.70 0.00 3.55 0.00 -1.26 -4.82 121.76 121.66 3ca4 s ALA 243 Ca 0.65 1.22 0.00 0.00 0.00 0.00 0.00 51.96 53.83 3ca4 s ALA 243 Cb -0.49 -3.64 0.00 0.00 0.00 0.00 0.00 23.12 18.99 3ca4 s ALA 243 CO 0.55 -0.92 0.00 0.25 0.00 0.00 0.00 175.76 175.63 3ca4 n THR 244 N 4.38 0.00 -0.91 0.00 -2.24 -1.26 -5.01 114.28 109.24 3ca4 n THR 244 Ca 0.14 -0.44 0.00 0.00 -2.27 0.00 0.00 64.05 61.48 3ca4 n THR 244 Cb 0.40 0.98 0.00 0.00 -2.10 0.00 0.00 70.33 69.61 3ca4 n THR 244 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ca4 n GLY 245 N 0.99 0.64 3.80 3.38 0.00 -1.26 -5.02 105.19 107.72 3ca4 n GLY 245 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 3ca4 n GLY 245 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3ca4 s ASN 246 N -2.53 5.28 0.52 1.61 0.01 -1.26 -4.91 114.94 113.65 3ca4 s ASN 246 Ca 0.00 1.76 0.24 0.00 -0.71 0.00 0.00 52.86 54.15 3ca4 s ASN 246 Cb 0.00 -2.52 1.36 0.00 0.41 0.00 0.00 41.25 40.50 3ca4 s ASN 246 CO 0.00 -1.51 1.99 -0.65 -1.51 0.00 0.00 177.10 175.42 3ca4 h PRO 247 N -0.39 0.04 0.00 -0.60 0.11 -1.97 -1.00 132.00 128.19 3ca4 h PRO 247 Ca -0.45 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3ca4 h PRO 247 Cb 1.22 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3ca4 h PRO 247 CO 0.55 0.03 0.00 0.27 -0.21 0.00 0.00 178.00 178.64 3ca4 n ASN 248 N -4.39 0.00 -0.03 -2.05 6.94 -1.26 -2.44 115.26 112.02 3ca4 n ASN 248 Ca 0.10 -1.33 0.02 0.00 -0.02 0.00 0.00 54.58 53.35 3ca4 n ASN 248 Cb 0.59 0.00 0.03 0.00 -2.36 0.00 0.00 39.78 38.04 3ca4 n ASN 248 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3ca4 n GLN 249 N -0.75 2.20 -3.82 -3.83 6.02 -0.38 -0.77 117.38 116.04 3ca4 n GLN 249 Ca 0.11 -1.62 -0.36 0.00 -0.01 0.00 0.00 57.00 55.12 3ca4 n GLN 249 Cb 0.05 -1.04 -0.07 0.00 1.02 0.00 0.00 30.24 30.20 3ca4 n GLN 249 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 3ca4 s GLN 250 N -1.27 3.69 0.01 -1.09 -1.52 -1.02 -4.24 119.66 114.22 3ca4 s GLN 250 Ca 0.07 -0.13 -0.04 0.00 -1.95 0.00 0.00 55.36 53.30 3ca4 s GLN 250 Cb 0.06 -3.26 -0.01 0.00 -0.22 0.00 0.00 33.01 29.58 3ca4 s GLN 250 CO 0.01 0.63 0.07 -1.58 -0.25 0.00 0.00 175.29 174.16 3ca4 s TRP 251 N -0.60 0.13 -0.02 0.91 0.52 0.24 -3.77 118.94 116.36 3ca4 s TRP 251 Ca 0.13 -0.31 -0.07 0.00 0.02 0.00 0.00 56.10 55.88 3ca4 s TRP 251 Cb -0.12 -0.11 0.01 0.00 -1.15 0.00 0.00 33.47 32.10 3ca4 s TRP 251 CO 0.03 -0.25 0.16 0.54 0.02 0.00 0.00 176.95 177.44 3ca4 s VAL 252 N -1.46 0.05 0.15 4.03 0.11 0.53 -4.69 120.40 119.12 3ca4 s VAL 252 Ca -0.15 -0.44 -0.20 0.00 -2.93 0.00 0.00 61.98 58.26 3ca4 s VAL 252 Cb -0.08 -0.38 -0.07 0.00 -1.53 0.00 0.00 36.38 34.32 3ca4 s VAL 252 CO 0.00 -0.24 0.66 0.42 -3.33 0.00 0.00 175.10 172.61 3ca4 s THR 253 N -0.86 4.61 -0.21 5.04 -4.23 -1.26 -0.71 115.64 118.02 3ca4 s THR 253 Ca -0.09 1.32 -0.01 0.00 -1.18 0.00 0.00 61.69 61.72 3ca4 s THR 253 Cb -0.05 -3.93 0.06 0.00 1.34 0.00 0.00 72.50 69.91 3ca4 s THR 253 CO 0.01 0.42 -0.03 -1.10 -0.54 0.00 0.00 174.62 173.38 3ca4 s GLN 254 N -1.46 1.28 0.30 3.99 -1.52 -0.57 -4.96 119.66 116.73 3ca4 s GLN 254 Ca 0.36 -0.72 -0.30 0.00 -1.95 0.00 0.00 55.36 52.75 3ca4 s GLN 254 Cb -0.19 -2.33 -0.12 0.00 -0.22 0.00 0.00 33.01 30.15 3ca4 s GLN 254 CO 0.21 -0.58 1.43 0.28 -0.25 0.00 0.00 175.29 176.39 3ca4 n VAL 255 N 4.83 1.39 -3.59 1.09 0.31 -1.26 -0.71 118.33 120.39 3ca4 n VAL 255 Ca -0.11 -0.35 -0.31 0.00 -0.01 0.00 0.00 64.34 63.56 3ca4 n VAL 255 Cb 0.46 -1.69 -0.05 0.00 -0.91 0.00 0.00 33.84 31.65 3ca4 n VAL 255 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 3ca4 s LEU 256 N -0.61 4.23 0.00 7.52 1.43 -0.81 -4.83 118.68 125.61 3ca4 s LEU 256 Ca 0.62 0.69 0.22 0.00 -1.03 0.00 0.00 54.13 54.62 3ca4 s LEU 256 Cb -0.57 -3.43 1.29 0.00 0.03 0.00 0.00 46.19 43.52 3ca4 s LEU 256 CO 0.55 0.01 1.67 -0.81 0.23 0.00 0.00 176.35 177.99